1. 21-0006
Al0.5Fe0.5{PO3}3
Triklin
Dexp Dcal d(D) h k l
5.3802 5.3822 -.0020 2 2 0
5.2004 5.1942 .0062 1 0 1
4.6004 4.6005 -.0002 3 0 0
4.3804 4.3796 .0007 3 2 0
4.2403 4.2415 -.0011 -2 -2 1
3.8302 3.8298 .0004 1 2 1
3.7303 3.7311 -.0008 -2 1 1
3.6303 3.6300 .0003 2 2 1
3.5303 3.5301 .0002 4 2 0
3.3802 3.3809 -.0007 -1 3 0
3.2203 3.2202 .0000 3 -1 1
3.1402 3.1393 .0009 4 3 0
A= 14.7182 DA= .0006
B= 12.2799 DB= .0008
C= 5.7371 DC= .0004
GAMMA= 69.720 DGAMMA= .001
BETA = 94.468 DBETA = .009
ALPHA= 99.332 DALPHA= .007
V=938.8
2. 21-0026
NH4FeP2O7
Triklin
Dexp Dcal d(D) h k l
5.8606 5.8784 -.0178 0 1 1
5.3405 5.3307 .0099 -1 1 0
5.0105 4.9998 .0106 2 1 1
4.2506 4.2321 .0185 1 2 1
3.9704 3.9657 .0047 0 2 0
3.4403 3.4404 -.0001 2 -1 1
3.3103 3.3128 -.0024 2 2 2
3.1104 3.1149 -.0046 3 1 2
3.0304 3.0282 .0022 1 -1 2
3.0003 2.9962 .0041 -2 1 1
2.9803 2.9819 -.0016 -1 0 2
2.6503 2.6533 -.0030 0 3 1
A= 10.5773 DA= .0006
B= 8.719 DB= .003
C= 7.906 DC= .006
GAMMA= 68.10 DGAMMA= .04
BETA = 65.59 DBETA = .02
ALPHA= 71.31 DALPHA= .04
V=604.2
3. 21-0369
H2{Al0.7Fe0.3}P3O10
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
6.8503 6.8602 -.0099 1 1 0
5.6803 5.6933 -.0130 2 0 0
5.4703 5.4781 -.0079 0 1 1
5.2903 5.2851 .0052 -1 1 1
4.7403 4.7465 -.0062 2 1 0
4.6404 4.6490 -.0086 1 1 1
4.3002 4.2976 .0026 0 2 0
4.0202 4.0208 -.0005 1 2 0
3.6803 3.6778 .0025 0 2 1
3.5503 3.5546 -.0043 0 0 2
3.4302 3.4301 .0001 2 2 0
3.3902 3.3896 .0006 -3 1 1
a= 11.651 b= 8.595 c= 7.2743 beta= 102.2
da=.009 db= .001 dc= .0004 dbet=.1
V= 711.9
Triklin
Dexp Dcal d(D) h k l
6.8503 6.8545 -.0042 0 1 1
5.6803 5.6812 -.0009 -1 0 1
5.4703 5.4679 .0024 0 -1 1
5.2903 5.2870 .0033 0 2 0
4.7403 4.7445 -.0041 -1 2 0
4.6404 4.6502 -.0098 -1 -1 1
4.3002 4.2985 .0017 -1 2 1
4.0202 4.0229 -.0027 -2 0 1
3.6803 3.6838 -.0035 0 0 2
3.5503 3.5490 .0012 -1 -2 1
3.4302 3.4272 .0030 0 2 2
3.3902 3.3891 .0011 1 3 1
A= 10.56 DA= .01
B= 10.886 DB= .006
C= 7.652 DC= .004
GAMMA= 88.92 DGAMMA= .06
BETA = 82.35 DBETA = .08
ALPHA= 76.28 DALPHA= .05
V= 847.2
4. 21-0377
H2FeP3O10
Triklin
Dexp Dcal d(D) h k l
6.9406 6.9460 -.0053 -1 0 1
5.9203 5.9350 -.0148 1 2 0
5.6803 5.6966 -.0163 1 1 2
5.5502 5.5742 -.0240 1 -1 1
5.3605 5.3556 .0050 2 1 1
4.7704 4.7606 .0098 0 -2 1
4.6804 4.6800 .0004 2 2 0
4.3804 4.3791 .0012 0 2 2
4.2803 4.2786 .0018 -2 0 1
4.0902 4.0893 .0009 2 0 2
3.8503 3.8487 .0016 0 0 3
3.7402 3.7388 .0014 0 -3 0
A= 10.961 DA= .008
B= 12.4834 DB= .0007
C= 12.055 DC= .001
GAMMA= 65.46 DGAMMA= .03
BETA = 75.87 DBETA = .05
ALPHA= 76.16 DALPHA= .06
V=1432
5. 21-0421
Fe3AsO7
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
5.1905 5.1981 -.0076 3 0 1
4.8802 4.8662 .0140 -1 0 2
4.1504 4.1499 .0005 0 2 0
3.9802 3.9764 .0038 4 0 1
3.8702 3.8805 -.0103 4 0 0
3.4402 3.4304 .0098 3 0 3
3.3803 3.3865 -.0062 2 1 3
3.3602 3.3630 -.0028 -2 2 1
3.2503 3.2431 .0071 3 2 1
3.2303 3.2303 .0000 2 2 2
3.2003 3.1980 .0023 5 0 1
3.1096 3.1044 .0052 5 0 0
a= 16.00 b= 8.300 c= 11.447 beta= 75.9
da=.01 db=.008 dc=.001 dbet= .11
V= 1475
6. 21-0422
FeB4O7
Triklin
Dexp Dcal d(D) h k l
6.1004 6.0979 .0026 0 1 1
5.5005 5.4968 .0037 1 0 0
4.2004 4.2066 -.0063 0 -1 1
3.4903 3.4897 .0006 -1 -1 1
3.3502 3.3517 -.0014 1 0 2
3.1702 3.1683 .0019 2 1 1
2.9202 2.9210 -.0008 2 1 0
2.8702 2.8728 -.0026 2 1 2
2.5002 2.4994 .0008 -1 2 1
2.2402 2.2404 -.0002 0 3 0
2.0001 1.9996 .0005 1 4 2
1.9391 1.9402 -.0011 2 3 4
A= 6.359 DA= .004
B= 8.117 DB= .007
C= 8.307 DC= .002
GAMMA= 62.38 DGAMMA= .03
BETA = 67.05 DBETA = .02
ALPHA= 61.90 DALPHA= .02
V= 326.95
7. 21-0424
Fe2B2O5*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.4003 6.4093 -.0090 1 1 0
5.4005 5.3940 .0065 2 0 1
3.9502 3.9430 .0072 0 2 1
3.7702 3.7645 .0057 -1 0 2
3.4003 3.3977 .0026 1 2 2
3.3102 3.3104 -.0002 2 1 3
2.7402 2.7391 .0010 1 3 1
2.6402 2.6402 .0000 2 1 4
2.5902 2.5896 .0006 1 1 4
2.5202 2.5211 -.0009 3 2 3
2.4602 2.4615 -.0013 2 3 0
2.3801 2.3810 -.0008 0 1 4
a= 10.795 b= 8.595 c= 11.123 beta= 63.00
da=.009 db=.004 dc= .001 dbeta=.05
V= 920
Triklin
Dexp Dcal d(D) h k l
6.4003 6.4014 -.0011 1 0 0
5.4005 5.4021 -.0016 0 1 1
3.9502 3.9561 -.0058 0 -1 1
3.7702 3.7647 .0055 0 2 1
3.4003 3.4029 -.0026 -1 2 1
3.3102 3.3079 .0023 1 2 0
2.7402 2.7411 -.0009 -1 0 2
2.6402 2.6415 -.0014 -1 -2 1
2.5902 2.5892 .0010 2 0 1
2.5202 2.5214 -.0013 -1 3 1
2.4602 2.4609 -.0007 1 -2 1
2.3801 2.3838 -.0036 1 3 0
A= 6.5072 DA= .0004
B= 8.087 DB= .004
C= 5.9867 DC= .0006
GAMMA= 92.533 DGAMMA= .008
BETA =100.327 DBETA = .007
ALPHA= 71.373 DALPHA= .003
V= 293.6
8. 21-0425
Fe6B14O27*H2O
Triklin
Dexp Dcal d(D) h k l
6.4003 6.4259 -.0256 1 0 0
6.1004 6.0931 .0073 0 1 1
4.9004 4.8960 .0044 0 -1 1
4.4004 4.3976 .0028 -1 -1 1
4.3003 4.2884 .0120 0 0 2
4.0003 3.9912 .0091 -1 0 2
3.6502 3.6504 -.0002 -1 1 2
3.5303 3.5320 -.0017 1 -1 1
3.2202 3.2129 .0073 2 0 0
3.1402 3.1429 -.0027 1 2 1
3.0402 3.0465 -.0063 0 2 2
2.7202 2.7202 .0000 1 2 2
A= 6.616 DA= .002
B= 7.154 DB= .002
C= 8.962 DC= .004
GAMMA= 84.40 DGAMMA= .02
BETA =101.17 DBETA = .01
ALPHA= 78.701 DALPHA= .003
V= 404.0
9. 21-0426
FeB4O7*0.8H2O
Triklin
Dexp Dcal d(D) h k l
6.4003 6.3739 .0264 -1 0 1
5.4005 5.3985 .0020 1 1 0
5.0004 4.9972 .0032 -1 -1 2
4.5003 4.5080 -.0077 0 1 2
3.7302 3.7261 .0042 -1 1 0
3.6002 3.6002 .0000 -1 1 1
3.4903 3.4897 .0005 2 1 0
3.3602 3.3581 .0021 -1 1 2
3.2599 3.2671 -.0072 2 0 1
3.0902 3.0876 .0026 2 0 2
3.0602 3.0628 -.0026 -1 1 3
2.9402 2.9421 -.0019 1 -1 4
A= 7.2293 DA= .0001
B= 6.1766 DB= .0001
C= 17.94600 DC= .00006
GAMMA= 68.289 DGAMMA= .001
BETA = 96.03132 DBETA = .00007
ALPHA= 99.5340 DALPHA= .0004
V=733.6
10. 21-0913
Ca4Fe9O17
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
5.6205 5.6155 .0050 0 2 0
3.7402 3.7437 -.0034 0 3 0
2.9902 2.9913 -.0011 0 3 2
2.8052 2.8077 -.0026 0 4 0
2.6652 2.6703 -.0051 1 2 1
2.4922 2.4875 .0047 0 0 4
2.2442 2.2462 -.0020 0 5 0
2.0621 2.0612 .0009 1 4 1
1.8381 1.8361 .0020 1 5 0
1.7361 1.7371 -.0010 1 3 4
1.5781 1.5779 .0002 2 1 0
a= 3.187 b=11.23 c= 9.950
da= .001 db= .01 dc= .001
v= 356.2
11. 21-0914
CaFe3O5
Triklin
Dexp Dcal d(D) h k l
6.3204 6.3185 .0019 1 1 0
2.8192 2.8189 .0004 0 0 1
2.6762 2.6776 -.0014 0 -2 1
2.6312 2.6308 .0004 1 2 1
2.5011 2.5029 -.0017 0 -3 1
2.3842 2.3837 .0005 2 1 1
2.2542 2.2540 .0002 -1 2 1
2.2071 2.2069 .0003 0 4 1
2.1112 2.1108 .0003 2 6 0
1.9731 1.9742 -.0010 -1 7 0
1.9371 1.9375 -.0004 3 1 1
1.7001 1.6995 .0006 1 -7 1
A= 6.7909 DA= .0003
B= 15.094 DB= .004
C= 2.8788 DC= .0008
GAMMA= 83.956 DGAMMA= .009
BETA = 78.57 DBETA = .01
ALPHA= 91.26 DALPHA= .02
V= 287.3
12. 21-0915
CaFe5O7
Triklin
Dexp Dcal d(D) h k l
8.3508 8.3473 .0035 0 0 1
2.9552 2.9555 -.0003 0 -2 1
2.6052 2.6048 .0004 1 2 0
2.5762 2.5761 .0001 2 1 1
2.5342 2.5346 -.0004 0 -2 2
2.5002 2.4990 .0011 -1 -2 1
2.4742 2.4742 -.0000 1 2 1
2.2921 2.2927 -.0006 1 1 3
2.2692 2.2693 -.0002 2 1 2
2.2181 2.2174 .0008 -2 2 2
2.1802 2.1813 -.0012 -3 0 1
2.1541 2.1538 .0004 -1 3 0
A= 7.020 DA= .007
B= 6.474 DB= .001
C= 8.351 DC= .003
GAMMA=104.63 DGAMMA= .03
BETA = 89.22 DBETA = .07
ALPHA= 91.558 DALPHA= .005
V= 367.1
13. 21-0916
Ca3Fe15O25
Triklin
Dexp Dcal d(D) h k l
5.2203 5.2140 .0063 0 0 1
4.8603 4.8637 -.0034 -1 0 1
3.1302 3.1280 .0022 0 -2 1
2.9702 2.9709 -.0006 -1 2 1
2.6832 2.6832 .0000 -1 1 2
2.6192 2.6190 .0002 -2 1 1
2.5882 2.5884 -.0002 0 3 0
2.5442 2.5447 -.0005 2 0 0
2.1552 2.1551 .0001 0 2 2
1.9921 1.9921 -.0000 1 0 2
1.8401 1.8400 .0001 -3 -1 1
1.5621 1.5624 -.0003 -1 -3 3
A= 5.672 DA= .003
B= 7.774 DB= .002
C= 5.807 DC= .001
GAMMA= 87.37 DGAMMA= .01
BETA =116.12 DBETA = .03
ALPHA= 91.65 DALPHA= .01
V= 229.6
14. 21-0918
FeMo2S4
Triklin
Dexp Dcal d(D) h k l
5.8204 5.8195 .0009 -1 0 1
5.1205 5.1207 -.0002 -1 1 1
3.3403 3.3407 -.0004 -1 2 2
2.9402 2.9396 .0006 -2 -1 1
2.8902 2.8894 .0009 0 3 1
2.5802 2.5814 -.0012 1 3 0
2.5102 2.5103 -.0001 -2 1 3
2.2602 2.2596 .0005 -2 -1 3
2.1602 2.1605 -.0004 1 3 3
2.1302 2.1304 -.0002 0 4 2
2.0702 2.0698 .0003 0 3 4
2.0301 2.0297 .0004 1 0 4
A= 6.4865 DA= .0004
B= 8.675 DB= .003
C= 9.767 DC= .006
GAMMA= 91.310 DGAMMA= .009
BETA =101.96 DBETA = .01
ALPHA= 74.31 DALPHA= .04
V= 517.3
15. 21-0920
eta-Fe2O3
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.0106 6.0016 .0089 1 1 0
4.3602 4.3546 .0056 0 2 0
4.1504 4.1497 .0007 0 1 1
3.6002 3.6004 -.0002 1 1 1
3.0002 3.0008 -.0006 2 2 0
2.7402 2.7397 .0005 1 3 0
2.4002 2.3999 .0003 -1 3 1
2.0001 2.0005 -.0004 3 3 0
1.8701 1.8699 .0003 4 2 0
1.8101 1.8102 -.0001 -2 4 1
1.5801 1.5801 -.0000 3 4 1
a= 8.31 b= 8.709 c= 4.738 beta= 95.0
da=.01 db=.005 dc=.006 dbeta=.1
V= 341.8
16. 21-0921
Fe6S8O33
Triklin
Dexp Dcal d(D) h k l
6.0004 6.0148 -.0144 1 1 0
5.8105 5.8169 -.0064 -1 0 1
5.3005 5.3016 -.0010 1 -1 1
5.2705 5.2769 -.0064 -1 1 0
4.3803 4.3730 .0073 1 -1 2
4.2602 4.2661 -.0058 0 1 2
4.1803 4.1766 .0037 2 0 2
4.1402 4.1412 -.0010 2 1 1
4.0002 3.9924 .0078 -1 0 2
3.7302 3.7175 .0127 2 -1 1
3.6602 3.6645 -.0043 -1 -1 2
3.6103 3.6104 -.0001 0 0 3
A= 9.3069 DA= .0004
B= 7.44547 DB= .00001
C= 11.5898 DC= .0002
GAMMA= 82.990 DGAMMA= .003
BETA = 69.348 DBETA = .003
ALPHA= 90.188 DALPHA= .003
V=745.4
17. 21-0922
beta-Fe4S5O21
Triklin
Dexp Dcal d(D) h k l
6.0106 6.0070 .0035 -2 -1 1
5.8303 5.8310 -.0007 2 1 0
5.3103 5.3090 .0013 -1 1 1
4.3803 4.3796 .0007 -3 -1 1
4.2804 4.2797 .0006 -1 1 2
4.1803 4.1804 -.0001 -3 0 1
4.1504 4.1505 -.0001 -2 1 1
4.0102 4.0085 .0017 -2 -2 2
3.7403 3.7408 -.0005 -1 -2 3
3.6203 3.6196 .0007 -2 -2 3
3.5702 3.5703 -.0001 0 -1 4
3.5403 3.5396 .0007 1 1 3
A= 13.470 DA= .005
B= 8.818 DB= .001
C= 14.719 DC= .002
GAMMA= 72.173 DGAMMA= .006
BETA =100.24 DBETA = .03
ALPHA=107.80 DALPHA= .01
V=1577.5
18. 21-0923
Fe12S11O51
Triklin
Dexp Dcal d(D) h k l
5.9803 5.9901 -.0098 2 0 0
5.2905 5.2853 .0051 2 0 1
4.8904 4.8884 .0020 0 3 1
4.3404 4.3377 .0027 0 2 2
4.1402 4.1425 -.0022 0 4 0
3.7202 3.7195 .0008 3 1 0
3.6002 3.6011 -.0009 -2 2 2
3.4303 3.4316 -.0013 2 2 2
3.2403 3.2402 .0001 -2 -2 2
3.2003 3.2005 -.0003 -1 5 1
3.1703 3.1695 .0008 0 5 1
3.0002 2.9981 .0021 2 0 3
A= 12.238 DA= .004
B= 16.900 DB= .001
C= 10.053 DC= .001
GAMMA=101.27 DGAMMA= .09
BETA = 86.76 DBETA = .05
ALPHA= 89.29 DALPHA= .05
V=2035
19. 21-0924
alfa-Fe4S5O21
Triklin
Dexp Dcal d(D) h k l
6.0106 5.9969 .0136 -1 0 1
4.3702 4.3651 .0052 1 -2 1
4.1303 4.1299 .0005 -1 2 1
3.9802 3.9765 .0037 -1 1 2
3.8503 3.8520 -.0017 1 0 2
3.6002 3.5932 .0070 -1 -2 1
2.9972 2.9985 -.0012 -2 0 2
2.7422 2.7424 -.0002 2 -2 2
2.6812 2.6822 -.0010 -1 -2 3
2.4232 2.4233 -.0001 -2 -2 2
2.3822 2.3824 -.0002 0 -4 2
2.2641 2.2627 .0014 1 2 3
A= 7.197 DA= .002
B= 10.4442 DB= .0007
C= 10.1271 DC= .0002
GAMMA=104.92 DGAMMA= .01
BETA = 94.051 DBETA = .001
ALPHA= 97.5484 DALPHA= .0005
V=724.5
20. 21-0926
Fe6S8O33*2H2O
Triklin
Dexp Dcal d(D) h k l
9.2502 9.2138 .0364 -1 0 1
8.5306 8.5806 -.0499 0 1 0
5.8406 5.8316 .0091 -1 1 0
5.3504 5.3477 .0027 1 -1 1
5.3005 5.3037 -.0032 -1 1 1
4.8802 4.8835 -.0033 2 0 0
4.8203 4.8220 -.0018 1 0 2
4.2904 4.2903 .0001 0 -2 0
4.1903 4.1924 -.0021 2 0 1
4.0202 4.0180 .0022 -2 -2 1
3.7502 3.7490 .0012 -2 -2 3
3.6703 3.6703 .0000 1 2 1
A= 10.810 DA= .002
B= 9.442 DB= .003
C= 14.65 DC= .01
GAMMA= 70.801 DGAMMA= .008
BETA =112.03 DBETA = .01
ALPHA=111.19 DALPHA= .03
V=1261
21. 21-0927
Fe2S2O9*5H2O
Triklin
Dexp Dcal d(D) h k l
6.1904 6.1903 .0000 -1 0 1
5.5603 5.5570 .0033 0 1 1
5.0004 4.9988 .0016 0 -1 1
4.7504 4.7442 .0062 -1 1 1
4.4404 4.4402 .0001 1 -1 1
4.1402 4.1394 .0009 -2 0 1
3.9303 3.9187 .0116 -2 1 0
3.6903 3.6951 -.0048 0 1 2
3.6002 3.5912 .0090 -2 1 1
3.2403 3.2482 -.0079 3 0 0
3.1703 3.1695 .0008 -1 -1 2
3.0802 3.0804 -.0002 -1 2 1
A= 9.75274 DA= .00001
B= 6.89337 DB= .00001
C= 8.24574 DC= .00001
GAMMA= 88.21858 DGAMMA= .00003
BETA = 88.28419 DBETA = .00006
ALPHA= 83.80577 DALPHA= .00001
V=550.6
22. 21-0928
Fe2S2O9*xH2O
Triklin
Dexp Dcal d(D) h k l
5.0504 5.0575 -.0071 1 0 0
4.7504 4.7515 -.0012 0 1 0
3.5602 3.5607 -.0004 0 -1 2
3.2503 3.2564 -.0062 1 0 2
3.2003 3.2010 -.0007 0 1 2
2.2832 2.2820 .0012 -1 2 0
2.2282 2.2286 -.0004 0 -1 4
2.1331 2.1322 .0009 -2 -1 1
2.0461 2.0464 -.0003 0 1 4
1.9921 1.9927 -.0005 2 1 1
1.8421 1.8431 -.0009 -1 -2 3
1.8311 1.8320 -.0008 2 -2 1
A= 5.151 DA= .001
B= 4.8214 DB= .0001
C= 9.668 DC= .002
GAMMA= 97.66 DGAMMA= .01
BETA = 97.039 DBETA = .005
ALPHA= 95.059 DALPHA= .003
V= 234.8
23. 21-0929
Fe6S4O21*xH2O
Triklin
Dexp Dcal d(D) h k l
5.9702 5.9718 -.0015 1 0 0
5.0803 5.0633 .0170 -1 1 0
3.7002 3.6981 .0022 -1 1 1
3.4703 3.4686 .0017 1 1 0
3.1502 3.1454 .0047 -2 1 0
3.0702 3.0689 .0014 0 -1 1
3.0202 3.0197 .0006 1 -1 1
2.9862 2.9859 .0003 2 0 0
2.9352 2.9359 -.0007 -1 2 0
2.7522 2.7515 .0007 0 2 0
2.5322 2.5316 .0006 -2 2 0
2.2971 2.2984 -.0013 2 1 0
A= 6.42058 DA= .00009
B= 6.107 DB= .003
C= 4.521 DC= .001
GAMMA=111.48 DGAMMA= .03
BETA = 93.68 DBETA = .01
ALPHA= 75.21 DALPHA= .04
V= 159.4
24. 21-0930
Fe14S18O75*xH2O
Triklin
Dexp Dcal d(D) h k l
4.7602 4.7575 .0027 0 1 0
3.6002 3.6011 -.0009 1 0 1
3.3002 3.3046 -.0044 0 -1 2
3.2802 3.2819 -.0017 -1 -1 1
3.1602 3.1613 -.0011 1 1 1
2.5622 2.5629 -.0007 1 1 2
2.2561 2.2560 .0001 1 0 3
2.0221 2.0223 -.0001 1 -1 3
2.0061 2.0067 -.0005 2 1 0
1.8511 1.8515 -.0004 -1 -2 3
1.8371 1.8371 .0000 1 -2 1
1.7121 1.7120 .0002 -1 2 1
A= 4.053 DA= .001
B= 5.006 DB= .001
C= 7.9696 DC= .0009
GAMMA= 74.4135 DGAMMA= .0004
BETA = 88.03 DBETA = .03
ALPHA= 98.46 DALPHA= .03
V= 153.6
25. 21-0931
Fe3SO9*5H2O
Triklin
Dexp Dcal d(D) h k l
8.0003 7.9718 .0284 1 0 0
7.5208 7.5209 -.0002 0 1 0
5.5003 5.5093 -.0090 1 0 1
5.0203 5.0460 -.0257 0 1 1
4.3602 4.3760 -.0157 1 -1 1
4.2704 4.2794 -.0091 -1 0 1
3.9903 3.9859 .0044 2 0 0
3.7602 3.7605 -.0002 0 2 0
3.3302 3.3286 .0017 2 1 1
3.2202 3.2250 -.0048 1 2 0
3.1203 3.1199 .0004 -1 2 1
3.0603 3.0592 .0011 1 -2 1
A= 8.30 DA= .01
B= 7.65 DB= .002
C= 6.220 DC= .005
GAMMA= 96.50 DGAMMA= .05
BETA = 76.01 DBETA = .04
ALPHA= 83.56 DALPHA= .01
V= 376.9
26. 21-1129
Na2Fe2Ti3O10
Triklin
Dexp Dcal d(D) h k l
7.3004 7.3097 -.0093 1 1 0
4.8403 4.8345 .0058 -1 2 0
3.5903 3.6005 -.0102 0 4 0
3.5003 3.5044 -.0041 1 4 0
3.0802 3.0785 .0017 0 -2 1
2.9802 2.9851 -.0049 1 -1 1
2.8702 2.8675 .0027 1 5 0
2.7102 2.7093 .0009 -1 -3 1
2.5302 2.5289 .0013 2 0 1
2.4402 2.4403 -.0001 -2 -2 1
2.2802 2.2800 .0002 -3 2 0
2.0802 2.0810 -.0008 1 7 0
A= 7.772 DA= .001
B= 14.6969 DB= .0007
C= 3.2651 DC= .0003
GAMMA= 80.04 DGAMMA= .06
BETA = 88.56 DBETA = .02
ALPHA= 95.43 DALPHA= .02
V=365.6
27. 21-1130
NaFeTi3O8
Triklin
Dexp Dcal d(D) h k l
6.2204 6.2115 .0089 0 1 1
5.8503 5.8544 -.0041 0 -1 1
3.7603 3.7622 -.0019 1 0 1
3.6303 3.6320 -.0017 0 -1 2
3.1502 3.1515 -.0013 1 0 2
3.1002 3.1058 -.0056 0 2 2
3.0102 3.0052 .0050 1 -1 2
2.9402 2.9394 .0007 1 1 2
2.7102 2.7117 -.0015 -1 2 1
2.5302 2.5328 -.0027 1 2 2
2.4602 2.4577 .0025 -1 -2 1
2.3902 2.3876 .0025 0 2 3
A= 3.881 DA= .001
B= 8.976 DB= .002
C= 8.396 DC= .001
GAMMA= 94.92 DGAMMA= .05
BETA = 76.96 DBETA = .01
ALPHA= 87.81 DALPHA= .06
V= 283.4
28. 21-1141
C9Fe2O9
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.0306 8.0290 .0016 1 1 0
5.5603 5.5563 .0040 2 1 1
5.2505 5.2568 -.0062 -2 0 1
4.5902 4.5943 -.0040 2 1 2
2.9832 2.9811 .0021 2 3 1
2.7542 2.7551 -.0009 -1 3 2
2.5212 2.5216 -.0005 -3 3 1
2.0591 2.0590 .0002 -6 1 1
1.8561 1.8563 -.0001 7 2 2
1.7621 1.7626 -.0005 6 3 4
1.7081 1.7082 -.0001 0 4 5
1.5491 1.5490 .0001 -2 5 4
1.4601 1.4602 -.0001 1 6 4
a= 14.020 b= 9.99 c= 12.167 beta= 74.2
da=.0093 db=.01 dc=.003 dbet=.1
V= 1639
Triklin
Dexp Dcal d(D) h k l
8.0306 8.0227 .0079 -1 0 1
5.5603 5.5574 .0028 0 -1 1
5.2505 5.2422 .0083 1 0 1
4.5902 4.5934 -.0032 -1 -1 2
2.9832 2.9807 .0025 -3 0 1
2.7542 2.7540 .0002 -2 -2 2
2.5212 2.5196 .0016 0 1 3
2.0591 2.0596 -.0004 4 0 0
1.8561 1.8559 .0003 3 2 1
1.7621 1.7622 -.0001 2 0 4
1.7081 1.7081 -.0000 -5 -2 3
1.5491 1.5490 .0001 3 -2 3
1.4601 1.4602 -.0001 -2 3 3
A= 9.2166 DA= .0001
B= 6.086 DB= .004
C= 10.83 DC= .03
GAMMA= 77.900 DGAMMA= .008
BETA =116.19 DBETA = .03
ALPHA=107.684 DALPHA= .002
V= 517.5
29. 21-1355
Na2FeH4{PO4}3*3H2O
Triklin
Dexp Dcal d(D) h k l
7.6806 7.7137 -.0332 0 0 1
6.1004 6.0931 .0073 1 1 0
5.8303 5.8512 -.0209 0 -2 1
5.6903 5.6886 .0017 1 -1 1
4.4904 4.4880 .0024 -1 0 1
4.3803 4.3734 .0070 0 4 1
4.2504 4.2532 -.0028 -1 4 0
3.8803 3.8775 .0028 1 -4 1
3.8603 3.8569 .0034 0 0 2
3.7203 3.7213 -.0010 1 -1 2
3.6803 3.6832 -.0030 0 5 1
3.5302 3.5303 -.0001 1 -2 2
A= 6.9411 DA= .0005
B= 20.1451 DB= .0004
C= 8.0124 DC= .0004
GAMMA= 95.98 DGAMMA= .02
BETA = 75.179 DBETA = .005
ALPHA= 86.54 DALPHA= .01
V=1072.7
30. 21-1356
NaFeH2{PO4}2*0.5H2O
Triklin
Dexp Dcal d(D) h k l
8.1511 8.1469 .0042 0 -1 1
7.2806 7.3075 -.0269 0 -1 2
6.4304 6.4382 -.0077 1 0 1
6.1004 6.1060 -.0056 -1 0 1
5.6903 5.7000 -.0096 1 1 1
4.7803 4.7757 .0046 -1 -1 3
4.5002 4.4917 .0085 1 -1 2
4.4304 4.4449 -.0146 0 -1 5
4.1703 4.1680 .0024 1 1 4
4.0403 4.0415 -.0012 -1 1 2
3.9902 3.9931 -.0029 0 0 6
3.9302 3.9332 -.0030 1 -1 4
A= 6.73950 DA= .00004
B= 8.5631 DB= .0002
C= 24.303 DC= .001
GAMMA= 75.591 DGAMMA= .003
BETA = 86.11 DBETA = .01
ALPHA= 97.572 DALPHA= .005
V=1339.1
31. 21-1357
Na3Fe2{PO4}3*4H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.3007 10.2909 .0097 0 1 0
6.8004 6.8267 -.0263 0 1 1
5.1604 5.1455 .0149 0 2 0
4.9403 4.9451 -.0049 2 0 0
4.7404 4.7257 .0147 -2 0 1
4.4403 4.4572 -.0169 2 1 0
4.3004 4.2946 .0058 -2 1 1
4.1903 4.1702 .0201 0 1 2
4.1004 4.0963 .0041 -1 1 2
3.9602 3.9506 .0096 1 2 1
3.8803 3.8804 -.0001 1 0 2
3.7703 3.7668 .0036 2 1 1
a= 10.06 b= 10.29 c= 9.28 beta= 100.6
da=.01 db=.03 dc= .02 dbet=.2
V= 944
32. 21-1358
Na3Fe{PO4}3*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
17.7026 17.6700 .0327 -1 0 1
6.0904 6.0937 -.0033 0 0 3
5.0804 5.0715 .0089 5 0 2
4.7803 4.7710 .0093 -7 0 2
4.5103 4.5067 .0036 6 0 2
3.9902 3.9917 -.0015 3 0 4
3.9102 3.9121 -.0018 -7 1 2
3.8303 3.8352 -.0049 -9 0 2
3.5602 3.5640 -.0038 1 0 5
3.3502 3.3529 -.0027 2 2 0
3.2602 3.2576 .0026 -3 2 1
3.2102 3.2090 .0012 -4 1 5
a= 35.420 b= 6.834 c= 18.64 beta= 101.32
da=.005 db=.006 dc=.01 dbeta=.05
V= 4425
Triklin
Dexp Dcal d(D) h k l
17.7026 17.7132 -.0106 1 0 0
6.0904 6.1019 -.0116 0 1 1
5.0804 5.0799 .0005 -2 -1 1
4.7803 4.7841 -.0038 3 0 1
4.5103 4.5181 -.0077 -3 1 0
3.9902 3.9918 -.0016 -4 0 1
3.9102 3.9115 -.0012 -2 0 2
3.8303 3.8272 .0031 1 1 2
3.5602 3.5588 .0014 1 -1 2
3.3502 3.3517 -.0015 -2 2 1
3.2602 3.2601 .0002 -3 -2 1
3.2102 3.2095 .0007 4 2 0
A= 17.8643 DA= .0001
B= 8.23646 DB= .00004
C= 8.58974 DC= .00000
GAMMA= 82.8246 DGAMMA= .0001
BETA = 91.58337 DBETA = .00003
ALPHA= 86.64072 DALPHA= .00009
V=1251.5
33. 21-1359
Na3Fe{PO4}2*H2O
Triklin
Dexp Dcal d(D) h k l
7.6306 7.6135 .0171 1 0 0
7.5808 7.6070 -.0262 0 1 0
7.0406 7.0219 .0188 1 0 1
5.1704 5.1666 .0038 1 -1 1
4.8903 4.8891 .0011 -1 -1 1
4.7904 4.7925 -.0022 -1 1 0
3.6402 3.6378 .0025 -1 -2 1
3.5803 3.5793 .0010 -1 1 1
3.5102 3.5109 -.0007 2 0 2
3.3402 3.3410 -.0008 0 -2 2
3.2902 3.2901 .0001 0 1 2
3.2302 3.2313 -.0010 -2 -1 1
A= 8.28 DA= .01
B= 8.075 DB= .008
C= 9.201 DC= .005
GAMMA= 79.89 DGAMMA= .01
BETA = 72.26 DBETA = .06
ALPHA=102.64 DALPHA= .04
V=552.6
34. 21-1360
Na2Fe{SO4}2
Triklin
Dexp Dcal d(D) h k l
6.4103 6.4063 .0040 2 0 0
5.7405 5.7360 .0045 -1 2 0
4.0002 4.0014 -.0012 -2 1 1
3.9104 3.9102 .0001 0 3 0
3.6403 3.6401 .0002 -2 3 0
3.5702 3.5659 .0043 1 3 0
3.4303 3.4304 -.0001 -3 1 1
3.1903 3.1913 -.0010 3 2 0
3.1002 3.0999 .0003 2 3 0
2.9703 2.9712 -.0010 2 -2 1
2.9302 2.9327 -.0025 0 4 0
2.8902 2.8905 -.0003 -4 1 1
A= 13.239 DA= .001
B= 12.0301 DB= .0006
C= 4.5448 DC= .0004
GAMMA=101.46 DGAMMA= .01
BETA =100.37 DBETA = .01
ALPHA= 82.37 DALPHA= .01
V=695.3
35. 21-1361
Na2Fe{SO4}2*H2O
Triklin
Dexp Dcal d(D) h k l
7.5508 7.5580 -.0072 0 1 1
6.6007 6.6023 -.0016 0 -1 1
6.3206 6.3300 -.0094 1 1 1
5.2705 5.2710 -.0006 1 -1 1
4.7903 4.8001 -.0098 1 0 2
4.5704 4.5815 -.0111 1 2 1
3.7903 3.7875 .0028 1 -2 1
3.4202 3.4224 -.0022 2 1 0
3.2802 3.2777 .0025 2 2 1
3.0902 3.0900 .0002 2 -1 2
2.9502 2.9494 .0009 0 -1 3
2.9102 2.9096 .0007 2 0 3
A= 7.545 DA= .004
B= 10.5410 DB= .0007
C= 10.39820 DC= .00241
GAMMA= 80.919 DGAMMA= .007
BETA = 68.901 DBETA = .006
ALPHA= 79.580 DALPHA= .009
V= 754.86
36. 21-1598
C22H18CuFe2O4
Triklin
Dexp Dcal d(D) h k l
6.8906 6.8904 .0002 1 0 0
5.5902 5.5938 -.0035 0 1 0
3.4602 3.4597 .0004 -1 -1 1
2.7202 2.7205 -.0004 -1 -2 1
2.6702 2.6720 -.0017 0 1 1
2.5802 2.5811 -.0010 1 1 1
2.4402 2.4403 -.0001 2 0 1
2.2502 2.2501 .0001 2 -1 1
2.1402 2.1408 -.0007 -3 -1 1
2.0702 2.0694 .0008 3 2 0
1.5801 1.5801 .0000 -2 2 1
1.5701 1.5701 -.0000 -3 -2 2
1.5201 1.5199 .0002 -1 1 2
1.4701 1.4702 -.0001 2 3 1
A= 7.215 DA= .001
B= 6.145 DB= .001
C= 3.7957 DC= .0003
GAMMA= 72.870 DGAMMA= .008
BETA = 97.42 DBETA = .02
ALPHA=109.05 DALPHA= .02
V= 151.9
37. 21-1694
C12H12FeN2S2
Monoklin
Grupa 7,13
Dexp Dcal d(D) h k l
4.4904 4.4893 .0011 2 1 0
3.9203 3.9207 -.0004 0 3 0
3.6603 3.6601 .0001 0 3 1
3.2102 3.2096 .0006 2 1 2
3.0802 3.0804 -.0002 -3 1 1
2.9402 2.9405 -.0003 0 4 0
2.5702 2.5701 .0001 0 3 3
2.4102 2.4100 .0002 2 4 1
2.0801 2.0803 -.0002 3 2 3
1.7901 1.7901 .0000 4 2 3
a= 9.776 b= 11.762 c= 10.275 beta= 96.461
da=.001 db=.002 dc=.001 dbet=.009
V= 1174.0
Triklin
Dexp Dcal d(D) h k l
4.4904 4.4907 -.0003 1 1 0
3.9203 3.9189 .0013 -1 0 1
3.6603 3.6605 -.0002 -1 -1 1
3.2102 3.2105 -.0002 1 1 1
3.0802 3.0806 -.0004 1 0 1
2.9402 2.9402 -.0000 -1 1 0
2.5702 2.5700 .0002 -1 -2 1
2.4102 2.4102 .0000 -1 -1 2
2.0801 2.0800 .0001 2 1 1
1.7901 1.7901 .0000 0 3 1
A= 5.0539 DA= .0001
B= 5.97388 DB= .00002
C= 5.4130 DC= .0002
GAMMA= 66.997 DGAMMA= .001
BETA =101.905 DBETA = .006
ALPHA= 88.017 DALPHA= .003
V= 145.98
38. 21-1695
C84H60FeN6P3S6
Triklin
Dexp Dcal d(D) h k l
11.7004 11.7124 -.0120 1 0 0
10.9004 10.8283 .0721 -1 1 1
10.1006 10.0883 .0123 -1 0 1
9.4304 9.4225 .0080 -1 1 0
7.8404 7.8145 .0260 1 1 0
7.4004 7.4201 -.0197 0 1 2
7.0106 7.0201 -.0095 -1 2 1
6.5304 6.5304 -.0000 -1 0 2
6.0506 6.0622 -.0116 0 2 2
5.7206 5.7188 .0018 -2 1 0
5.4204 5.4214 -.0010 1 1 2
5.1605 5.1611 -.0006 -1 2 3
A= 12.773 DA= .001
B= 14.587 DB= .003
C= 16.012 DC= .002
GAMMA=109.3203 DGAMMA= .0001
BETA =111.0858 DBETA = .0004
ALPHA= 59.696 DALPHA= .007
V=2361.5
39. 21-1696
C60H40FeN6P2S6
Triklin
Dexp Dcal d(D) h k l
9.0305 9.0626 -.0321 0 1 1
8.2905 8.2963 -.0058 0 -1 1
7.7304 7.7322 -.0017 1 -1 1
7.1807 7.2032 -.0225 0 0 2
6.7707 6.7640 .0067 1 0 2
6.2706 6.2679 .0027 0 1 2
5.8905 5.8858 .0046 1 -1 2
5.6405 5.6373 .0033 -1 -1 1
5.4105 5.4124 -.0019 0 2 0
5.1205 5.1214 -.0009 -1 1 2
4.8503 4.8532 -.0028 1 0 3
4.4503 4.4528 -.0025 1 2 1
A= 10.794 DA= .001
B= 11.091 DB= .001
C= 14.9188 DC= .0004
GAMMA=101.458 DGAMMA= .006
BETA = 75.875 DBETA = .008
ALPHA= 87.787 DALPHA= .001
V=1690.3
40. 21-1697
C22H20FeN6S2
Triklin
Dexp Dcal d(D) h k l
9.0409 9.0602 -.0193 0 1 1
8.3006 8.3044 -.0038 0 -1 1
7.1397 7.1328 .0069 -1 1 0
6.8404 6.8270 .0134 1 -1 1
6.4906 6.4920 -.0015 1 1 0
5.9004 5.8838 .0167 0 3 0
5.3203 5.3156 .0047 1 2 0
5.0004 4.9983 .0021 1 0 2
4.8304 4.8250 .0054 1 1 2
4.4404 4.4439 -.0035 1 3 1
4.3703 4.3727 -.0024 1 2 2
4.0302 4.0261 .0041 -1 4 0
A= 7.8851 DA= .0001
B= 17.840 DB= .001
C= 10.6111 DC= .0007
GAMMA= 95.97 DGAMMA= .01
BETA = 70.246 DBETA = .009
ALPHA= 86.56 DALPHA= .01
V=1391
41. 21-1698
C22H20FeN6S2
Triklin
Dexp Dcal d(D) h k l
9.1303 9.1256 .0047 0 1 1
8.3408 8.3537 -.0128 1 1 1
7.2506 7.2527 -.0021 0 -1 1
6.8705 6.8795 -.0090 1 1 2
6.4603 6.4747 -.0144 -1 -1 1
5.8905 5.8922 -.0017 2 0 0
5.4303 5.4174 .0129 0 -1 2
5.0504 5.0523 -.0019 2 0 2
4.8604 4.8581 .0023 1 -1 2
4.4404 4.4469 -.0065 -2 1 1
4.3703 4.3631 .0072 2 -1 1
4.0603 4.0594 .0008 -2 -1 2
A= 12.223 DA= .001
B= 9.881 DB= .005
C= 16.968 DC= .007
GAMMA= 76.197 DGAMMA= .003
BETA = 79.580 DBETA = .004
ALPHA= 72.99 DALPHA= .01
V= 1889.3
42. 21-1699
C27H28FeN4O3.5
Triklin
Dexp Dcal d(D) h k l
12.6016 12.6095 -.0079 1 0 0
10.7009 10.6988 .0022 1 1 0
8.6609 8.6596 .0013 1 1 1
7.3707 7.3726 -.0019 -1 0 1
6.8906 6.8938 -.0032 2 0 1
6.4206 6.4205 .0001 2 1 1
6.1103 6.1082 .0021 0 0 2
5.8503 5.8495 .0008 -1 1 1
5.3305 5.3289 .0016 -2 1 0
4.9002 4.9006 -.0004 0 -3 1
4.6704 4.6702 .0002 -2 -2 1
4.1503 4.1508 -.0006 -1 1 2
A= 13.977 DA= .006
B= 14.896 DB= .001
C= 13.76 DC= .01
GAMMA= 82.92 DGAMMA= .01
BETA = 67.87 DBETA = .04
ALPHA=102.51 DALPHA= .04
V= 2524.00
43. 21-1707
C22H18Fe2O4Pb
Triklin
Dexp Dcal d(D) h k l
19.6025 19.6167 -.0142 0 1 0
15.7009 15.6976 .0034 1 0 0
12.2004 12.2164 -.0161 1 -1 0
11.3003 11.3128 -.0125 0 0 1
8.1606 8.1708 -.0102 1 0 1
7.1105 7.1092 .0013 -2 1 1
6.5304 6.5389 -.0086 0 3 0
6.1406 6.1484 -.0078 2 2 0
5.8804 5.8721 .0083 0 3 1
5.2604 5.2679 -.0075 1 3 1
4.9603 4.9570 .0033 1 -3 1
4.6704 4.6721 -.0017 -1 4 0
A= 16.333 DA= .006
B= 19.685 DB= .002
C= 11.810 DC= .002
GAMMA= 90.95 DGAMMA= .01
BETA =106.04 DBETA = .02
ALPHA= 85.260 DALPHA= .009
V=3637.2
1.22-0343
FeBO3*xH2O
Triklin
Dexp Dcal d(D) h k l
6.0905 6.1049 -.0144 1 0 0
5.8905 5.8888 .0017 1 0 1
4.0203 4.0236 -.0033 1 2 0
3.9502 3.9435 .0068 0 0 2
3.8203 3.8166 .0037 1 2 1
3.6902 3.6937 -.0035 1 -1 2
3.6303 3.6254 .0049 1 -2 1
3.5602 3.5588 .0014 -1 2 0
3.3902 3.3896 .0006 -1 -2 1
3.2402 3.2400 .0002 2 0 1
3.0602 3.0613 -.0011 0 -3 1
2.9602 2.9619 -.0017 -1 2 1
A= 6.52181 DA= .00003
B= 9.67615 DB= .00005
C= 8.3944 DC= .0003
GAMMA= 84.2165 DGAMMA= .0008
BETA = 70.664 DBETA = .001
ALPHA= 93.055 DALPHA= .001
V=495.2
2. 22-0344
FeBCl3N
Tetragon
Groupa 105,112,131
Dexp. Dcal. d(D) h k l
17.8027 17.7170 .0857 1 0 0
11.6009 11.4468 .1540 0 0 1
8.9304 8.8585 .0719 2 0 0
7.8907 7.9233 -.0326 2 1 0
3.4302 3.4363 -.0061 4 1 2
3.3302 3.3248 .0054 5 1 1
2.5102 2.5056 .0046 7 1 0
2.3602 2.3606 -.0004 3 3 4
2.1702 2.1716 -.0015 6 3 3
2.0601 2.0596 .0006 7 5 0
1.8171 1.8154 .0017 3 0 6
1.6651 1.6667 -.0016 8 7 0
1.5191 1.5192 -.0001 10 6 0
1.2531 1.2528 .0003 14 2 0
1.1731 1.1732 -.0002 5 3 9
a= 17.71702 c= 11.44683
da= .000248 dc= .002032
v=3593.1
3. 22-0490
beta-TlFeO2
Triklin
Dexp Dcal d(D) h k l
4.5402 4.5383 .0020 -1 0 1
3.1802 3.1786 .0017 -3 0 1
3.0502 3.0474 .0028 -1 1 1
2.9002 2.8972 .0030 -3 -1 1
2.7602 2.7589 .0013 -2 1 1
2.6402 2.6384 .0018 -4 0 1
2.4802 2.4827 -.0025 5 0 0
2.3902 2.3904 -.0002 1 2 0
2.3601 2.3621 -.0020 1 0 2
2.2002 2.1991 .0011 -2 -2 1
2.0001 2.0017 -.0016 2 -2 1
1.9101 1.9083 .0018 3 -1 2
A= 12.5579 DA= .0002
B= 4.8167 DB= .0001
C= 4.86583 DC= .00003
GAMMA= 81.402 DGAMMA= .0002
BETA = 92.240 DBETA = .001
ALPHA= 96.529 DALPHA= .001
V=289.1
4. 22-0527
CaFe+3H6{MoO4}4{PO4}*6H2O
Triklin
Dexp Dcal d(D) h k l
8.4204 8.4300 -.0095 1 0 0
6.9108 6.9121 -.0013 0 1 0
5.5805 5.5785 .0020 1 1 1
4.6603 4.6504 .0099 1 -1 1
4.2804 4.2859 -.0055 2 0 1
3.9002 3.9026 -.0024 2 1 1
3.5403 3.5389 .0014 2 1 2
3.4803 3.4808 -.0005 -2 1 0
3.1903 3.1852 .0051 -2 -1 1
3.0403 3.0420 -.0018 2 -1 2
2.9162 2.9172 -.0010 -1 -2 1
2.8162 2.8166 -.0005 0 -1 3
A= 8.774 DA= .002
B= 7.043 DB= .001
C= 10.3846 DC= .0007
GAMMA= 83.087 DGAMMA= .002
BETA = 74.522 DBETA = .004
ALPHA= 79.875 DALPHA= .004
V=606.4
5. 22-0625
FeAs3O9*8H2O
Triklin
Dexp Dcal d(D) h k l
12.2007 12.2301 -.0294 1 -1 0
9.9507 9.9486 .0021 0 2 0
8.3506 8.3273 .0233 1 2 0
7.6902 7.7040 -.0137 2 0 0
7.1708 7.1649 .0059 2 1 0
6.0704 6.0676 .0028 2 2 0
5.0105 5.0065 .0040 2 3 0
4.9604 4.9633 -.0029 3 1 0
4.7203 4.7226 -.0023 1 4 0
4.6204 4.6201 .0002 0 -1 1
4.5804 4.5787 .0017 -3 2 0
4.5003 4.5005 -.0001 1 1 1
A= 15.4296 DA= .0007
B= 19.898 DB= .001
C= 4.76497 DC= .00005
GAMMA= 90.45 DGAMMA= .01
BETA = 87.006 DBETA = .002
ALPHA= 89.609 DALPHA= .001
V=1458.1
6. 22-0626
FeF2*4H2O
Triklin
Dexp Dcal d(D) h k l
5.0403 5.0412 -.0010 1 0 0
4.2004 4.2017 -.0014 0 1 1
3.8402 3.8402 .0000 -1 0 1
3.2702 3.2723 -.0021 1 1 1
3.0402 3.0405 -.0003 0 1 2
2.8102 2.8095 .0007 -1 0 2
2.6202 2.6210 -.0009 0 -2 1
2.2402 2.2411 -.0009 -2 0 1
2.1902 2.1883 .0019 2 1 1
2.0801 2.0806 -.0005 1 -1 4
1.8941 1.8934 .0007 2 -2 3
1.8151 1.8156 -.0004 1 -2 4
A= 5.32907 DA= .00007
B= 5.44194 DB= .00007
C= 8.5531 DC= .0001
GAMMA=100.675 DGAMMA= .003
BETA = 72.89259 DBETA = .00001
ALPHA=100.003 DALPHA= .001
V=231.0
7. 22-0636
Fe2OF4
Triklin
Dexp Dcal d(D) h k l
3.8003 3.7997 .0006 0 1 1
3.3403 3.3419 -.0016 -1 1 0
2.9802 2.9764 .0038 0 -1 1
2.7002 2.7026 -.0024 1 0 2
2.5502 2.5472 .0030 1 1 1
2.2601 2.2599 .0003 1 1 2
2.0801 2.0797 .0005 2 0 0
1.8861 1.8873 -.0012 -1 2 2
1.7291 1.7313 -.0022 2 -1 2
1.7031 1.7014 .0017 1 -1 3
1.6551 1.6548 .0003 -1 2 3
1.5671 1.5664 .0007 1 0 4
A= 4.341 DA= .002
B= 4.1598 DB= .0001
C= 6.721 DC= .002
GAMMA=105.39 DGAMMA= .05
BETA = 87.85 DBETA = .04
ALPHA= 75.41 DALPHA= .01
V= 112.5
8. 22-1004
{H,Na,Fe}{Y,La}5Si6O21
Triklin
Dexp Dcal d(D) h k l
4.7003 4.7001 .0002 1 0 0
4.0503 4.0468 .0034 1 1 0
3.4602 3.4602 .0000 -1 0 1
3.1802 3.1831 -.0029 1 0 1
3.0602 3.0577 .0025 1 2 0
3.0002 2.9979 .0023 -1 -1 1
2.7182 2.7171 .0010 0 3 0
2.6272 2.6221 .0051 0 3 1
2.3932 2.3937 -.0006 0 1 2
2.3392 2.3379 .0012 1 3 0
2.2522 2.2496 .0026 2 1 0
2.0581 2.0598 -.0016 1 1 2
A= 4.71928 DA= .00000
B= 8.3757 DB= .0004
C= 4.81532 DC= .00003
GAMMA= 91.968 DGAMMA= .005
BETA = 95.105 DBETA = .001
ALPHA= 76.741 DALPHA= .001
V=184.5
9. 22-1039
{NH4}4Fe2{OH}4{CO3}3*3H2O
Triklin
Dexp Dcal d(D) h k l
8.4206 8.4333 -.0126 1 0 0
6.8304 6.8232 .0072 0 -1 1
4.8504 4.8494 .0010 -1 -1 2
4.7304 4.7250 .0054 0 -1 2
4.5003 4.5040 -.0037 1 -1 1
3.8302 3.8243 .0060 -2 -1 2
3.7403 3.7387 .0016 2 0 1
3.6502 3.6471 .0031 1 -1 2
3.4203 3.4220 -.0017 2 2 0
3.3602 3.3632 -.0030 0 -1 3
3.2702 3.2712 -.0010 -1 1 2
3.2102 3.2096 .0006 -2 1 0
A= 9.215 DA= .002
B= 8.280 DB= .001
C= 10.536 DC= .007
GAMMA= 67.01 DGAMMA= .01
BETA =102.65 DBETA = .03
ALPHA=108.66 DALPHA= .09
V= 697.1
10. 22-1122
FeTi{SO4}3
Triklin
Dexp Dcal d(D) h k l
5.3004 5.2851 .0153 1 0 0
4.3902 4.3938 -.0035 0 1 1
4.1703 4.1673 .0029 0 -1 1
4.1202 4.1154 .0048 1 0 2
4.0403 4.0407 -.0004 -1 0 2
3.7402 3.7295 .0107 -1 1 0
3.6303 3.6360 -.0057 -1 1 1
3.5603 3.5639 -.0036 0 -1 2
3.2902 3.2928 -.0026 -1 0 3
3.2502 3.2495 .0007 0 1 3
3.2103 3.2122 -.0019 1 1 0
2.9902 2.9874 .0029 0 -1 3
A= 5.3456 DA= .0003
B= 4.60334 DB= .00008
C= 12.8641 DC= .0003
GAMMA= 98.573 DGAMMA= .003
BETA = 89.654 DBETA = .001
ALPHA= 85.29208 DALPHA= .00001
V=311.9
11. 22-1427
Sr7Fe10O22
Triklin
Dexp Dcal d(D) h k l
9.4710 9.4701 .0009 1 0 0
3.8503 3.8543 -.0041 1 1 1
3.5203 3.5170 .0033 -2 -1 1
3.1602 3.1567 .0035 3 0 0
2.7902 2.7887 .0014 0 -2 1
2.7702 2.7717 -.0015 3 0 1
2.7302 2.7308 -.0006 3 1 1
2.6502 2.6494 .0008 1 0 2
2.5902 2.5904 -.0003 3 2 0
2.4002 2.4007 -.0005 2 0 2
2.2302 2.2308 -.0006 4 1 1
2.0901 2.0891 .0010 2 3 0
A= 9.887 DA= .001
B= 6.371 DB= .002
C= 5.50389 DC= .00003
GAMMA= 73.401 DGAMMA= .002
BETA = 90.068 DBETA = .001
ALPHA= 96.201 DALPHA= .001
V= 330.1
12. 22-1768
C40H20AsF24Fe4S12
Triklin
Dexp Dcal d(D) h k l
10.5005 10.5108 -.0103 1 0 0
7.4805 7.4910 -.0104 -1 1 0
5.6605 5.6385 .0220 -1 0 1
5.2704 5.2554 .0150 2 0 0
5.1202 5.1214 -.0012 -1 -1 1
4.7104 4.6976 .0129 0 2 0
4.5902 4.5912 -.0010 -1 1 1
4.5004 4.5062 -.0058 -1 2 0
4.2202 4.2207 -.0004 0 -2 1
4.1403 4.1428 -.0025 1 1 1
3.9203 3.9227 -.0023 -2 -1 1
3.8002 3.8019 -.0017 -2 1 1
3.4302 3.4299 .0003 0 2 1
3.3002 3.3011 -.0009 2 2 0
A= 10.621 DA= .001
B= 9.6745 DB= .0004
C= 6.4566 DC= .0008
GAMMA= 96.281 DGAMMA= .001
BETA = 93.991 DBETA = .007
ALPHA=101.776 DALPHA= .001
V=642.3
13. 22-1769
C64H40As2F24Fe4S12
Triklin
Dexp Dcal d(D) h k l
11.8003 11.8154 -.0151 1 0 0
10.9011 10.9348 -.0337 1 1 0
9.1905 9.1684 .0220 -1 0 1
8.7403 8.7463 -.0060 -1 -1 1
7.0704 7.0882 -.0178 1 1 1
6.7504 6.8123 -.0619 1 2 0
6.5003 6.4591 .0412 0 2 0
6.3104 6.3169 -.0065 2 1 0
5.5003 5.4954 .0048 1 2 1
5.3705 5.3647 .0059 -2 -2 1
5.0905 5.0939 -.0034 0 1 2
4.9504 4.9558 -.0054 -1 2 0
A= 13.075 DA= .001
B= 13.938 DB= .001
C= 11.4268 DC= .0001
GAMMA= 67.9500 DGAMMA= .0002
BETA =103.865 DBETA = .004
ALPHA= 95.257 DALPHA= .003
V=1873.3
14. 22-1770
C16F24Fe4S12
Triklin
Dexp Dcal d(D) h k l
10.8014 10.8098 -.0084 1 0 0
7.8205 7.8349 -.0144 -1 1 0
6.7504 6.7455 .0049 -1 0 1
5.4606 5.4601 .0004 2 -1 1
5.1202 5.1183 .0019 1 -1 2
4.8202 4.8227 -.0025 2 0 1
4.5902 4.5898 .0005 0 0 2
4.4103 4.4091 .0012 2 -2 1
4.1804 4.1811 -.0008 0 -2 2
4.1102 4.1124 -.0021 -1 0 2
3.8902 3.8901 .0001 -1 -2 1
3.8103 3.8114 -.0011 3 -1 1
3.6403 3.6395 .0008 2 0 2
3.2702 3.2696 .0006 -3 0 1
A= 11.5510 DA= .0001
B= 10.1521 DB= .0002
C= 10.510 DC= .003
GAMMA=110.19 DGAMMA= .02
BETA = 76.727 DBETA = .004
ALPHA=118.85 DALPHA= .01
V= 1010.4
1. 23-0299
C4H4FeO6*2.5H2O
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
5.6703 5.6697 .0007 1 1 0
5.6506 5.6484 .0021 -1 1 1
4.8704 4.8701 .0003 1 1 1
3.4003 3.3996 .0007 0 2 3
2.9602 2.9604 -.0002 2 1 1
2.7602 2.7609 -.0007 0 3 3
2.0001 2.0002 -.0000 -2 4 3
1.9101 1.9101 .0001 0 5 3
1.8201 1.8201 .0000 3 3 1
a= 6.920 b= 10.58 c= 13.718 beta= 103.98
da=.003 db= .002 dc=.008 dbet=.04
V= 974.7
2. 23-0301
{Fe,Mn}3Si2O5{OH}4
Tetragon.
Groupa 76,78,91,95
Dexp. Dcal. d(D) h k l
7.2204 7.1788 .0416 1 0 0
3.5803 3.5894 -.0091 2 0 0
3.5503 3.5418 .0085 1 1 2
2.7602 2.7644 -.0042 1 1 3
2.4702 2.4721 -.0019 0 0 4
2.3402 2.3374 .0028 1 0 4
2.0602 2.0631 -.0029 3 1 2
1.9401 1.9364 .0037 3 0 3
1.6051 1.6052 -.0001 4 2 0
a=7.179 c= 9.888
da= .002 dc= .003
V= 509.6
3. 23-0308
Fe2{WO4}3*10.7H2O
Triklin
Dexp Dcal d(D) h k l
4.4803 4.4798 .0005 1 0 0
3.7803 3.7821 -.0018 -1 1 0
3.6502 3.6492 .0010 -1 0 1
3.5203 3.5200 .0003 -1 -1 1
3.2402 3.2396 .0006 -1 1 1
3.1702 3.1668 .0034 0 2 1
2.8802 2.8825 -.0023 1 0 1
2.6302 2.6316 -.0014 1 3 0
2.4302 2.4300 .0001 -1 -3 1
2.0301 2.0296 .0005 0 -2 2
1.8911 1.8910 .0001 -2 2 0
1.8241 1.8246 -.0005 -2 0 2
1.6781 1.6782 -.0001 1 -4 1
1.6641 1.6639 .0002 -1 -5 1
1.6441 1.6442 -.0001 0 -5 1
A= 4.6549 DA= .0003
B= 8.90 DB= .01
C= 4.700 DC= .001
GAMMA= 81.61 DGAMMA= .01
BETA =103.56 DBETA = .02
ALPHA= 92.09 DALPHA= .04
V= 187.2
4. 23-0309
Fe2{WO4}3*10.7H2O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
3.7403 3.7339 .0063 1 1 1
3.6502 3.6566 -.0064 -1 0 1
3.2502 3.2504 -.0003 2 0 0
3.1702 3.1720 -.0018 0 2 0
2.8902 2.8928 -.0026 2 1 0
2.6302 2.6312 -.0011 1 0 2
2.4302 2.4305 -.0003 1 1 2
1.8971 1.8969 .0002 3 0 2
1.8271 1.8268 .0003 -1 2 2
1.6481 1.6483 -.0002 1 3 2
1.6281 1.6280 .0001 3 2 2
1.5841 1.5840 .0001 -2 2 2
a= 6.689 b= 6.3441 c= 5.34 beta= 76.38
da=.007 db=.0004 dc=.01 dbet= .02
V= 220.1
5. 23-0471
K2BaFe{CN}6*3H2O
Monoklin
Grupa 3,6,10
Dexp Dcal d(D) h k l
5.5303 5.5210 .0093 0 1 0
4.2303 4.2283 .0020 0 1 2
3.8103 3.8072 .0031 2 0 1
3.6303 3.6245 .0058 -2 0 1
3.1302 3.1301 .0002 1 0 4
2.9502 2.9415 .0087 2 1 2
2.7602 2.7605 -.0003 0 2 0
2.6302 2.6303 -.0001 0 0 5
2.5902 2.5895 .0007 -1 1 4
2.3701 2.3714 -.0013 2 1 4
2.3302 2.3309 -.0007 -3 0 2
2.2002 2.2014 -.0013 -2 1 4
2.1001 2.1022 -.0020 2 1 5
a= 7.772 b= 5.52 c= 13.206 beta= 84.79
da=.007 db=.04 dc= .006 dbet=.01
V= 564.3
Triklin
Dexp Dcal d(D) h k l
5.5303 5.5208 .0095 0 1 1
4.2303 4.2318 -.0015 1 0 1
3.8103 3.8114 -.0011 -1 0 1
3.6903 3.6847 .0056 1 -1 1
3.6303 3.6315 -.0012 0 0 2
3.1302 3.1294 .0009 0 2 0
2.9502 2.9489 .0013 -1 1 2
2.7602 2.7604 -.0002 0 2 2
2.6302 2.6314 -.0012 0 -2 1
2.5902 2.5921 -.0019 -1 2 2
2.3701 2.3708 -.0007 2 -1 1
2.3302 2.3295 .0007 1 2 0
2.2002 2.1996 .0006 -2 2 1
2.1001 2.0999 .0002 -1 2 3
A= 5.023 DA= .001
B= 6.747 DB= .006
C= 7.539 DC= .006
GAMMA=105.83 DGAMMA= .01
BETA = 87.77 DBETA = .01
ALPHA= 75.85 DALPHA= .03
V= 236.8
6. 23-0678
NaFeH2{PO4}2
Triklin
Dexp Dcal d(D) h k l
6.1105 6.1072 .0032 -1 1 0
5.9705 5.9809 -.0104 1 1 0
5.4705 5.4512 .0193 0 -1 1
4.9904 4.9849 .0055 -1 -1 1
4.3202 4.3220 -.0018 2 0 0
4.2303 4.2257 .0046 0 2 0
4.0303 4.0237 .0065 -1 1 1
3.7902 3.7854 .0049 -2 0 1
3.1802 3.1742 .0060 2 0 1
3.1502 3.1501 .0001 2 -1 1
3.0502 3.0536 -.0034 -2 2 0
3.0202 3.0199 .0003 0 2 1
2.9532 2.9549 -.0017 -1 2 1
2.8372 2.8405 -.0033 0 0 2
2.7262 2.7256 .0006 0 -2 2
2.7082 2.7100 -.0018 3 1 0
2.6002 2.5992 .0010 -2 0 2
A= 8.7929 DA= .0006
B= 8.786 DB= .001
C= 6.004 DC= .004
GAMMA= 88.294 DGAMMA= .001
BETA =100.50 DBETA = .01
ALPHA=105.84 DALPHA= .03
V=438.6
7. 23-1117
FeMo3Se4
Triklin
Dexp Dcal d(D) h k l
6.7006 6.7085 -.0080 0 1 0
5.0303 5.0252 .0051 -1 -1 1
3.3503 3.3483 .0019 1 0 3
3.1202 3.1195 .0007 0 0 4
3.0302 3.0303 -.0001 -1 -2 1
2.9662 2.9662 .0000 1 1 3
2.9002 2.8998 .0005 -1 -1 4
2.8322 2.8331 -.0010 0 1 4
2.7772 2.7767 .0005 -2 1 4
2.6992 2.6989 .0003 -2 2 2
2.6052 2.6058 -.0006 0 -2 3
2.5762 2.5776 -.0014 3 0 1
A= 8.868 DA= .002
B= 6.7284 DB= .0006
C= 13.10 DC= .01
GAMMA= 94.40 DGAMMA= .03
BETA =107.73 DBETA = .08
ALPHA= 88.45 DALPHA= .08
V= 742.3
8. 23-1120
FeS
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.6502 3.6523 -.0021 -1 1 1
3.2403 3.2400 .0003 1 1 1
2.8431 2.8431 -.0000 -2 1 2
2.5822 2.5797 .0024 -3 1 1
2.4441 2.4413 .0029 -4 0 2
2.2502 2.2486 .0016 -2 0 4
2.1132 2.1140 -.0009 -4 1 1
1.9792 1.9801 -.0010 -5 0 2
1.8811 1.8809 .0002 2 2 0
1.7542 1.7544 -.0002 1 2 2
1.6321 1.6325 -.0004 -3 1 5
1.5021 1.5024 -.0003 4 0 3
1.4121 1.4118 .0003 4 1 3
a= 9.917 b=4.1269 c= 9.0191 beta= 112.71
da=.009 db=.0005 dc= .0004 dbet=.06
V= 340.5
Triklin
Dexp Dcal d(D) h k l
3.6502 3.6493 .0009 -1 0 1
3.2403 3.2408 -.0005 1 1 0
2.8431 2.8452 -.0021 -1 -1 2
2.5822 2.5835 -.0013 -1 -2 1
2.4441 2.4439 .0002 -1 -2 2
2.2502 2.2499 .0002 0 1 2
2.1132 2.1130 .0002 -1 -1 3
1.9792 1.9796 -.0004 -1 2 1
1.8811 1.8806 .0005 -1 -3 1
1.7542 1.7540 .0002 1 -3 1
1.6321 1.6324 -.0004 -1 -2 4
1.5021 1.5021 .0000 0 -3 4
1.4121 1.4116 .0005 -2 -1 4
A= 4.0560 DA= .0009
B= 6.207 DB= .002
C= 6.680 DC= .005
GAMMA= 83.60 DGAMMA= .05
BETA =103.67 DBETA = .08
ALPHA=115.48 DALPHA= .08
V= 147.5
9. 23-1121
FeS
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.3701 3.3690 .0012 0 0 2
2.8691 2.8673 .0018 2 1 0
2.6172 2.6185 -.0013 1 1 2
2.4751 2.4763 -.0011 2 1 2
2.2781 2.2792 -.0011 -1 1 2
2.1552 2.1569 -.0017 3 0 3
2.0151 2.0152 -.0000 -3 1 1
1.9091 1.9083 .0008 4 0 3
1.8452 1.8440 .0011 1 2 1
1.7701 1.7697 .0004 1 0 4
1.6441 1.6448 -.0007 -2 2 1
1.4251 1.4250 .0001 -3 1 3
a= 9.138 b=3.848 c= 7.1592 beta= 70.24
da=.001 db= .004 dc=.0001 dbet= .02
V= 236.9
Triklin
Dexp Dcal d(D) h k l
3.3701 3.3704 -.0002 -1 0 1
2.8691 2.8687 .0005 0 1 1
2.6172 2.6172 .0000 0 -1 1
2.4751 2.4756 -.0005 1 -1 1
2.2781 2.2765 .0016 -1 2 0
2.1552 2.1539 .0013 -4 0 1
2.0151 2.0155 -.0004 -1 2 1
1.9091 1.9098 -.0007 1 2 1
1.8452 1.8457 -.0006 -5 1 0
1.7701 1.7699 .0002 2 2 1
1.6441 1.6440 .0001 0 1 2
1.4251 1.4250 .0001 2 -1 2
A= 9.97 DA= .02
B= 4.653 DB= .002
C= 3.4522 DC= .0006
GAMMA= 94.03 DGAMMA= .05
BETA = 99.21 DBETA = .07
ALPHA= 83.941 DALPHA= .004
V= 157.0
10. 23-1125
{FeTiSi}
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.5003 5.4969 .0034 1 1 0
3.1502 3.1498 .0004 0 2 2
2.9302 2.9298 .0004 2 1 1
2.7002 2.7014 -.0012 -2 1 3
2.5002 2.5026 -.0024 2 2 1
2.3402 2.3393 .0008 3 1 0
2.1401 2.1405 -.0004 3 1 1
2.0451 2.0456 -.0005 1 1 4
1.8001 1.7999 .0002 1 4 2
1.7651 1.7651 .0000 -3 3 3
1.7401 1.7405 -.0004 1 0 5
1.4991 1.4993 -.0002 -2 5 2
1.3761 1.3761 .0000 3 5 0
1.3531 1.3531 -.0000 -5 1 5
1.3251 1.3249 .0002 3 3 4
a= 7.6397 b= 8.336 c= 10.051 beta= 106.84
da=.0008 db=.0002 dc=.001 dbet=.01
V= 612.6
Triklin
Dexp Dcal d(D) h k l
5.5003 5.5036 -.0033 1 0 0
3.1502 3.1481 .0021 1 1 1
2.9302 2.9278 .0023 1 -1 1
2.7002 2.6995 .0007 -2 1 0
2.5002 2.5000 .0001 -2 1 1
2.3402 2.3385 .0017 -1 2 0
2.1401 2.1403 -.0002 0 2 2
2.0451 2.0462 -.0010 -2 2 0
1.8001 1.8012 -.0011 3 0 1
1.7651 1.7649 .0002 -1 -1 2
1.7401 1.7404 -.0003 1 0 3
1.4991 1.4990 .0001 1 -1 3
1.3761 1.3759 .0002 4 0 0
1.3531 1.3532 -.0001 -1 -2 2
1.3251 1.3251 .0000 3 1 3
A= 5.7176 DA= .0006
B= 5.022 DB= .001
C= 5.657 DC= .002
GAMMA=104.19 DGAMMA= .04
BETA = 88.48 DBETA = .05
ALPHA= 70.332 DALPHA= .001
V= 147.2
11. 23-1190
alfa-Li3FeF6
Triklin
Dexp Dcal d(D) h k l
4.8054 4.8061 -.0006 1 1 0
4.1558 4.1578 -.0020 -1 1 1
4.0602 4.0590 .0012 -1 -1 1
4.0124 4.0127 -.0003 -2 0 1
3.8883 3.8930 -.0047 2 -1 2
3.7736 3.7807 -.0071 -1 0 2
3.1908 3.1905 .0003 -2 -1 1
3.1335 3.1339 -.0004 -1 1 2
2.9138 2.9129 .0009 3 -1 3
2.7858 2.7865 -.0008 4 -1 2
2.6702 2.6710 -.0007 0 2 1
2.5823 2.5818 .0005 -1 2 1
A= 12.0378 DA= .0001
B= 5.7304 DB= .0001
C= 10.4926 DC= .0002
GAMMA= 98.322 DGAMMA= .004
BETA = 64.4195 DBETA = .0008
ALPHA= 96.451 DALPHA= .004
V=644.8
12. 23-1694
C24H28BrFe2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.0604 6.0607 -.0003 1 1 0
3.0202 3.0200 .0002 1 0 3
2.7902 2.7901 .0001 2 2 2
2.4702 2.4703 -.0001 -1 0 3
2.0201 2.0202 -.0001 3 3 0
1.8301 1.8301 .0000 2 4 0
1.7501 1.7501 .0000 -4 1 2
1.5201 1.5201 .0000 6 1 4
1.2001 1.2001 .0000 3 4 6
a= 10.0245 b= 7.9538 c=9.0765 beta= 68.993
da=.0003 db= .0004 dc=.004 dbet=.008
V= 675.63
13. 23-1695
C40H46Br12Fe7O3
Triklin
Dexp Dcal d(D) h k l
9.2010 9.1920 .0089 0 1 0
6.8005 6.7955 .0050 0 1 1
6.1406 6.1405 .0002 -1 0 1
5.6803 5.6776 .0027 0 -1 1
5.0905 5.0773 .0132 -1 1 1
4.6203 4.5960 .0243 0 2 0
3.6203 3.6213 -.0010 -2 0 1
3.4803 3.4808 -.0005 -2 -1 1
3.2602 3.2679 -.0076 -2 1 1
3.0302 3.0300 .0002 1 2 2
2.8732 2.8735 -.0002 2 2 1
2.7862 2.7856 .0006 -1 0 3
A= 7.517 DA= .002
B= 9.435 DB= .003
C= 8.5824 DC= .0007
GAMMA= 81.98 DGAMMA= .03
BETA =100.48 DBETA = .01
ALPHA= 81.455 DALPHA= .005
V=583.3
14. 23-1726
C10H14FeO4
Triklin
Dexp Dcal d(D) h k l
14.5999 14.6055 -.0055 1 0 0
12.1005 12.0772 .0233 0 1 0
10.1006 10.0892 .0114 0 0 1
9.1104 9.0719 .0385 0 -1 1
7.7806 7.7659 .0147 1 0 1
7.3204 7.3027 .0177 2 0 0
6.8707 6.8666 .0041 0 1 1
6.2605 6.2747 -.0142 -1 -2 1
5.9603 5.9560 .0042 0 -2 1
5.6005 5.5915 .0090 -2 -2 1
5.0705 5.0839 -.0134 2 1 1
4.8704 4.8703 .0001 -2 -1 2
A= 15.468 DA= .001
B= 13.1518 DB= .0009
C= 10.796 DC= .001
GAMMA= 72.83 DGAMMA= .01
BETA =103.531 DBETA = .009
ALPHA=108.997 DALPHA= .009
V=1960.5
15. 23-1727
C8H16Cl3FeN6O2
Triklin
Dexp Dcal d(D) h k l
10.2007 10.2049 -.0042 1 0 0
8.6607 8.6615 -.0008 -1 1 0
7.1906 7.1824 .0082 0 1 1
6.5506 6.5488 .0017 1 0 1
6.2302 6.2326 -.0024 -1 2 0
5.7905 5.7870 .0035 0 2 1
5.2105 5.2119 -.0014 1 2 1
5.0604 5.0580 .0024 0 3 0
4.7704 4.7682 .0022 2 1 0
4.2704 4.2722 -.0018 -1 -2 1
3.7703 3.7694 .0009 0 0 2
3.5902 3.5912 -.0010 0 2 2
A= 10.324 DA= .003
B= 15.34 DB= .02
C= 7.701 DC= .003
GAMMA= 91.52 DGAMMA= .09
BETA = 81.72 DBETA = .03
ALPHA= 81.92 DALPHA= .03
V= 1193.8
16. 23-1729
C10H2F12FeO4
Triklin
Dexp Dcal d(D) h k l
11.8012 11.7974 .0038 1 0 0
10.4012 10.4156 -.0144 -1 1 0
9.1806 9.1784 .0022 0 0 1
6.7907 6.7790 .0116 1 -1 1
6.1505 6.1551 -.0046 -1 2 0
5.7503 5.7458 .0045 0 2 0
5.2603 5.2632 -.0029 2 -1 1
4.9204 4.9215 -.0011 1 -2 1
4.5402 4.5382 .0020 1 2 0
4.2503 4.2503 .0000 -1 1 2
4.1503 4.1507 -.0005 1 -1 2
3.9203 3.9157 .0047 -1 3 1
A= 12.744 DA= .001
B= 12.458 DB= .006
C= 9.260 DC= .003
GAMMA=111.639 DGAMMA= .006
BETA = 87.2491 DBETA = .0006
ALPHA= 84.43 DALPHA= .02
V= 1354.0
17. 23-1731
C6H11Fe2O6
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
8.0409 8.0458 -.0049 1 0 1
7.4807 7.4514 .0293 1 1 0
5.2805 5.2778 .0026 2 1 0
4.8904 4.8782 .0123 2 1 1
4.4404 4.4445 -.0041 1 0 2
4.3103 4.3166 -.0064 3 0 0
4.2103 4.2097 .0006 3 0 1
4.0603 4.0477 .0126 0 2 1
4.0103 4.0229 -.0126 2 0 2
3.6203 3.6246 -.0044 -1 1 2
3.2502 3.2477 .0025 4 0 1
3.0502 3.0506 -.0004 4 1 0
a= 13.195 b= 9.11 c= 8.99 beta= 78.92
da=.004 db=.01 dc= .02 dbet=.09
V= 1061
Triklin
Dexp Dcal d(D) h k l
8.0409 8.0343 .0066 1 0 0
7.4807 7.4882 -.0075 1 1 1
5.2805 5.2780 .0025 -1 -1 1
4.8904 4.8933 -.0029 1 2 1
4.4404 4.4388 .0016 2 1 0
4.3103 4.3136 -.0033 0 2 1
4.2103 4.2094 .0009 -1 0 2
4.0603 4.0566 .0037 2 2 1
4.0103 4.0171 -.0068 2 0 0
3.6203 3.6245 -.0042 1 1 3
3.2502 3.2512 -.0010 2 0 2
3.0502 3.0486 .0015 -2 1 1
A= 9.13759 DA= .00006
B= 9.8304 DB= .0001
C= 11.09961 DC= .00007
GAMMA= 61.7297 DGAMMA= .0008
BETA = 76.839 DBETA = .001
ALPHA= 67.478 DALPHA= .001
V=809.8
18. 23-1732
C10H2F12FeO4
Triklin
Dexp Dcal d(D) h k l
11.7008 11.6994 .0014 1 0 0
10.2005 10.2256 -.0252 1 -1 0
9.0409 9.0405 .0004 1 0 1
6.8304 6.8340 -.0037 -1 0 1
6.4704 6.4621 .0083 1 1 0
5.9604 5.9606 -.0001 1 1 1
5.6905 5.7054 -.0149 -1 2 0
5.1404 5.1436 -.0032 0 2 0
4.8103 4.8021 .0082 -1 2 1
4.4703 4.4672 .0031 3 -1 1
4.3403 4.3414 -.0011 2 1 0
4.0003 3.9989 .0015 1 -2 2
A= 13.547 DA= .001
B= 11.461 DB= .002
C= 10.708 DC= .003
GAMMA=116.08 DGAMMA= .05
BETA = 73.33 DBETA = .02
ALPHA= 95.34 DALPHA= .08
V= 1429.6
19. 23-1733
C14H10FeN2S2
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
4.9203 4.9205 -.0002 2 1 0
4.6603 4.6599 .0004 0 0 1
4.2504 4.2524 -.0020 1 1 1
3.8503 3.8471 .0032 -1 1 1
3.7002 3.7007 -.0004 0 2 1
3.4402 3.4400 .0002 3 1 0
3.2802 3.2813 -.0011 -2 0 1
3.0802 3.0800 .0002 3 0 1
a=10.8876 b=12.178 c= 4.716 beta= 81.15
da=.0003 db= .001 dc=.001 dbet=.06
V= 617.9
20. 23-1734
C30H30B2F4FeN6O6
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
9.5406 9.5287 .0119 0 1 1
7.1208 7.1200 .0008 0 2 0
6.3104 6.3242 -.0138 2 0 0
4.7403 4.7283 .0120 2 2 0
4.4404 4.4397 .0007 -1 2 2
4.0303 4.0281 .0022 -1 0 3
3.7903 3.7963 -.0060 2 3 0
3.6303 3.6299 .0005 -2 3 1
3.1302 3.1274 .0028 0 1 4
2.9902 2.9897 .0006 -4 1 1
2.8802 2.8795 .0007 2 0 4
2.8002 2.7999 .0004 4 1 2
a= 12.650 b= 14.240 c= 12.82 beta= 89.0001
da=.004 db=.004 dc= .01 dbet=.0003
V= 2309.8
Triklin
Dexp Dcal d(D) h k l
9.5406 9.5531 -.0125 1 0 0
7.1208 7.1094 .0114 -1 1 0
6.3104 6.3108 -.0004 -1 0 1
4.7403 4.7411 -.0007 0 0 2
4.4404 4.4398 .0006 0 -1 2
4.0303 4.0322 -.0019 -1 0 2
3.7903 3.7866 .0037 0 -2 1
3.6303 3.6226 .0077 2 0 2
3.1302 3.1316 -.0014 1 0 3
2.9902 2.9901 .0002 -2 1 2
2.8802 2.8803 -.0001 3 -2 2
2.8002 2.8015 -.0013 2 -2 3
A= 10.296 DA= .003
B= 8.248 DB= .002
C= 9.912 DC= .005
GAMMA=110.50 DGAMMA= .05
BETA = 77.59 DBETA = .01
ALPHA=105.04 DALPHA= .04
V= 754.3
21. 23-1735
C15H11Cl2FeN3
Triklin
Dexp Dcal d(D) h k l
10.8006 10.8194 -.0187 1 0 0
8.1204 8.1149 .0055 -1 1 0
7.3507 7.3412 .0095 1 0 1
6.6705 6.6718 -.0012 0 2 0
6.2706 6.2755 -.0048 -1 0 1
5.9702 5.9706 -.0003 1 1 1
5.4003 5.4097 -.0094 2 0 0
5.1605 5.1479 .0125 2 1 0
4.0604 4.0574 .0029 -2 2 0
3.8602 3.8629 -.0026 -2 1 1
3.6703 3.6706 -.0003 2 0 2
3.5102 3.5101 .0002 2 -2 2
A= 10.9649 DA= .0006
B= 13.9166 DB= .0002
C= 9.0910 DC= .0007
GAMMA= 88.250 DGAMMA= .007
BETA = 81.673 DBETA = .002
ALPHA=105.966 DALPHA= .004
V=1316.5
22. 23-1736
C8H20Br4FeN
Triklin
Dexp Dcal d(D) h k l
7.2807 7.2822 -.0015 1 0 0
6.8104 6.8107 -.0004 -1 1 0
6.4303 6.4259 .0044 1 0 1
4.9603 4.9659 -.0056 0 -1 1
4.2003 4.1993 .0010 0 1 2
3.8703 3.8617 .0086 -2 1 0
3.5102 3.5093 .0009 -1 -1 1
3.4102 3.4113 -.0011 -1 1 2
3.2702 3.2637 .0065 -2 1 1
3.0902 3.0916 -.0014 -1 0 2
2.8402 2.8402 .0001 0 3 0
2.7602 2.7608 -.0006 -1 3 2
A= 7.9316 DA= .0003
B= 9.4616 DB= .0008
C= 8.6435 DC= .0002
GAMMA=105.22 DGAMMA= .06
BETA = 77.86 DBETA = .01
ALPHA= 73.52 DALPHA= .01
V= 571.1
23. 23-1737
C8H20Br2Cl2FeN
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
7.2004 7.2138 -.0134 1 1 0
6.7407 6.7239 .0168 1 1 1
6.3306 6.3307 -.0001 -1 0 1
4.9002 4.8899 .0103 1 2 0
4.1503 4.1403 .0099 2 0 2
3.8103 3.8095 .0008 1 0 3
3.4803 3.4837 -.0035 1 3 1
3.3602 3.3634 -.0032 2 0 3
3.3602 3.3619 -.0018 2 2 2
3.1703 3.1653 .0049 -2 0 2
3.0502 3.0493 .0009 -1 1 3
2.8002 2.7972 .0030 3 2 1
a= 9.600 b= 11.520 c= 11.538 beta= 74.52
da=.007 db= .007 dc=.006 dbet=.02
V= 1229.9
Triklin
Dexp Dcal d(D) h k l
7.2004 7.2043 -.0039 0 1 1
6.7407 6.7559 -.0152 0 -1 1
6.3306 6.3324 -.0018 1 0 0
4.9002 4.9034 -.0032 -1 1 0
4.1503 4.1563 -.0061 -1 -2 1
3.8103 3.8077 .0026 1 1 2
3.4803 3.4789 .0014 1 3 1
3.3602 3.3573 .0028 1 -2 1
3.1703 3.1662 .0041 2 0 0
3.0502 3.0505 -.0002 2 2 1
2.8002 2.7998 .0004 1 1 3
2.7102 2.7122 -.0020 2 -1 1
A= 6.618 DA= .004
B= 11.437 DB= .002
C= 9.082 DC= .001
GAMMA= 73.20 DGAMMA= .01
BETA = 86.94 DBETA = .03
ALPHA= 85.54 DALPHA= .02
V= 655.8
24. 23-1738
C8H20Br3ClFeN
Triklin
Dexp Dcal d(D) h k l
7.2604 7.2512 .0093 1 0 0
6.7607 6.7883 -.0276 0 1 1
6.3604 6.3557 .0048 0 -1 1
4.9204 4.9244 -.0039 -1 1 1
4.1804 4.1823 -.0020 -1 2 0
3.8503 3.8503 .0000 -1 2 1
3.4903 3.4885 .0018 -1 1 2
3.3703 3.3710 -.0007 0 3 1
3.1802 3.1812 -.0010 -2 1 1
3.0602 3.0608 -.0005 2 -1 1
2.8102 2.8086 .0015 -2 2 1
2.6602 2.6600 .0002 2 1 2
A= 7.272 DA= .001
B= 10.788 DB= .001
C= 8.311 DC= .001
GAMMA= 86.260 DGAMMA= .005
BETA = 91.850 DBETA = .003
ALPHA= 86.240 DALPHA= .006
V= 648.7
25. 23-1739
C8H20BrCl3FeN
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
7.1806 7.2033 -.0227 1 1 0
6.6405 6.6549 -.0143 0 1 1
6.3405 6.3196 .0209 2 0 0
4.8903 4.8903 -.0000 -1 0 2
4.1602 4.1566 .0036 -2 0 2
3.8103 3.8142 -.0039 2 0 2
3.4503 3.4515 -.0012 -2 2 1
3.3302 3.3274 .0028 0 2 2
3.1703 3.1706 -.0003 -3 1 2
3.0302 3.0374 -.0073 3 2 0
2.8002 2.7998 .0004 -4 0 2
2.3202 2.3196 .0005 2 3 2
a= 12.69 b= 8.766 c= 10.26 beta= 95.0
da=.02 db=.009 dc=.01 dbet=.1
V= 1137
Triklin
Dexp Dcal d(D) h k l
7.1806 7.1916 -.0110 0 1 1
6.6405 6.6417 -.0012 0 -1 1
6.3405 6.3439 -.0034 1 0 0
4.8903 4.8897 .0006 0 -1 2
4.1602 4.1605 -.0002 -1 -1 2
3.8103 3.8118 -.0015 1 1 2
3.4503 3.4471 .0032 -1 -1 3
3.3302 3.3298 .0004 -1 -2 1
3.1703 3.1720 -.0017 2 0 0
3.0302 3.0297 .0005 -1 1 4
2.8002 2.8005 -.0003 2 1 1
2.3202 2.3203 -.0002 -1 -3 2
A= 6.4549 DA= .0004
B= 8.1514 DB= .0006
C= 13.379 DC= .004
GAMMA= 90.900 DGAMMA= .002
BETA =100.650 DBETA = .002
ALPHA= 84.84 DALPHA= .01
V= 689.1
26. 23-1740
C8H20Cl4FeN
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
7.1403 7.1149 .0253 1 0 0
6.3104 6.2652 .0452 1 1 0
4.8304 4.8426 -.0122 1 2 0
4.1102 4.1107 -.0005 1 1 1
3.4302 3.4353 -.0051 2 1 0
3.3002 3.3049 -.0047 0 4 0
3.1302 3.1326 -.0024 2 2 0
3.0002 2.9974 .0029 1 4 0
2.7702 2.7680 .0022 2 3 0
1.9501 1.9500 .0001 3 3 1
1.7001 1.7001 .0000 1 2 3
a= 7.1149 b=13.22 c= 5.447
da= .0001 db= .010798 dc= .001
V= 512.3
1. 24-0163
Cd2Fe{CN}6*2H2O
Rombik
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
6.3403 6.1971 .1432 0 2 0
5.5803 5.5709 .0094 1 2 0
4.1303 4.1314 -.0011 0 3 0
3.1602 3.1580 .0022 2 2 1
2.8302 2.8289 .0013 4 2 0
2.5102 2.5016 .0086 3 4 0
2.2201 2.2191 .0011 4 4 0
2.0401 2.0390 .0012 1 6 0
1.9571 1.9549 .0022 4 5 0
1.8201 1.8192 .0009 0 4 2
1.7071 1.7057 .0014 2 7 0
1.6701 1.6691 .0010 7 1 1
a=12.718 b=12.394 c= 4.495
da= .004 db= .003 dc= .001
v= 708.5
Triklin
Dexp Dcal d(D) h k l
6.3403 6.3363 .0040 0 1 0
5.5803 5.5812 -.0009 1 0 0
4.1303 4.1308 -.0005 -1 1 0
3.1602 3.1612 -.0010 2 0 1
2.8302 2.8318 -.0016 0 1 2
2.5102 2.5067 .0035 2 2 1
2.2201 2.2206 -.0004 1 3 1
2.0401 2.0402 -.0001 2 -2 1
1.9571 1.9572 -.0001 -1 3 0
1.8201 1.8199 .0002 0 -2 2
1.7071 1.7074 -.0003 2 3 0
1.6701 1.6702 -.0001 1 4 1
A= 6.4579 DA= .0001
B= 6.7684 DB= .0004
C= 6.616 DC= .002
GAMMA= 78.53 DGAMMA= .01
BETA = 59.84 DBETA = .01
ALPHA= 69.481 DALPHA= .008
V=234.1
2. 24-0200
Ca2Fe{CN}6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.1905 6.1772 .0133 0 1 0
5.6347 5.6548 -.0201 -1 0 1
4.3403 4.3331 .0072 1 1 0
4.1603 4.1710 -.0108 -1 1 1
3.2702 3.2787 -.0085 -2 0 1
2.8802 2.8781 .0021 0 1 2
2.5702 2.5709 -.0007 -2 1 2
2.5002 2.4970 .0032 1 0 2
2.2402 2.2398 .0004 0 2 2
2.0101 2.0091 .0011 -3 1 2
1.8861 1.8849 .0012 -3 0 3
1.7551 1.7564 -.0013 1 1 3
a= 6.584 b= 6.177 c= 7.0452 beta= 112.57
da= .006 db= .002 dc=.0001 dbet=.02
V= 264.6
Triklin
Dexp Dcal d(D) h k l
6.1904 6.1821 .0083 1 0 0
5.6347 5.6314 .0033 0 1 1
4.3403 4.3416 -.0013 0 -1 1
4.1603 4.1588 .0015 -1 -1 1
3.2702 3.2677 .0025 -1 2 0
2.8802 2.8807 -.0006 1 3 1
2.5702 2.5709 -.0007 2 2 1
2.5002 2.4979 .0023 -1 -3 1
2.2402 2.2397 .0005 -2 -3 1
2.0101 2.0105 -.0003 -1 1 3
1.8861 1.8859 .0002 1 -2 2
1.7551 1.7549 .0002 2 5 1
A= 6.472 DA= .002
B= 9.561 DB= .001
C= 6.1025 DC= .0001
GAMMA= 78.40 DGAMMA= .02
BETA = 99.38 DBETA = .04
ALPHA= 76.269 DALPHA= .007
V= 350.4
3. 24-0225
Ce4Fe3{CN}18*14H2O
Triklin
Dexp Dcal d(D) h k l
6.2306 6.2369 -.0063 0 1 1
5.7304 5.7306 -.0002 -1 0 1
4.6503 4.6510 -.0007 0 -1 1
3.7903 3.7893 .0009 -1 0 2
3.6203 3.6233 -.0030 0 0 2
2.6102 2.6089 .0013 -1 0 3
2.5302 2.5300 .0001 -2 -1 2
2.3402 2.3394 .0007 -2 -2 1
2.1101 2.1106 -.0004 -2 -2 2
1.8141 1.8144 -.0003 1 -1 3
1.5451 1.5470 -.0019 -4 1 3
1.3801 1.3801 .0000 3 3 2
A= 6.33171 DA= .00006
B= 8.0496 DB= .0001
C= 8.1972 DC= .0005
GAMMA= 94.8259 DGAMMA= .0003
BETA =112.714 DBETA = .002
ALPHA= 72.842 DALPHA= .002
V=368.0
4. 24-0258
Cs4{Fe{CN}6}
Triklin
Dexp Dcal d(D) h k l
4.5704 4.5645 .0059 -1 1 1
4.2004 4.1986 .0018 -1 -1 1
3.7403 3.7365 .0038 -1 2 0
3.3302 3.3307 -.0004 -2 0 1
3.0502 3.0500 .0001 -1 -2 1
2.9602 2.9601 .0001 -1 0 2
2.9202 2.9201 .0001 -2 -1 1
2.7802 2.7803 -.0001 0 0 2
2.4452 2.4451 .0001 2 -1 1
2.2201 2.2197 .0004 0 2 2
2.0902 2.0903 -.0002 1 -2 2
1.9701 1.9701 -.0000 -1 -3 2
A= 6.9581 DA= .0002
B= 8.186 DB= .001
C= 5.94248 DC= .00006
GAMMA=100.1775 DGAMMA= .0004
BETA =110.33 DBETA = .01
ALPHA= 89.96 DALPHA= .01
V=312.0
5. 24-0543
FeZn2{CN}6
Triklin
Dexp Dcal d(D) h k l
6.5105 6.5076 .0029 1 0 0
5.0803 5.0792 .0011 1 1 0
4.5003 4.4947 .0057 -1 0 1
4.1703 4.1688 .0015 -1 -1 1
3.8203 3.8179 .0024 1 1 1
3.3102 3.3097 .0005 -1 1 1
3.1702 3.1677 .0025 0 2 0
2.8802 2.8844 -.0043 -2 -1 1
2.3001 2.2992 .0009 -2 -1 2
2.1902 2.1902 -.0001 1 -2 2
2.0981 2.0979 .0003 0 -3 1
1.8991 1.8995 -.0004 -1 3 0
1.7601 1.7604 -.0002 -2 0 3
1.4321 1.4320 .0001 -4 0 2
1.2671 1.2671 .0000 0 5 0
A= 6.64366 DA= .00009
B= 6.5328 DB= .0005
C= 6.482 DC= .001
GAMMA= 78.542 DGAMMA= .002
BETA = 89.78 DBETA = .03
ALPHA= 98.10 DALPHA= .05
V= 272.8
6. 24-544
FeZn2{CN}6*2H2O
Triklin
Dexp Dcal d(D) h k l
6.3705 6.3661 .0044 1 0 0
5.4503 5.4467 .0036 0 1 0
4.5402 4.5412 -.0010 -1 0 1
4.1203 4.1167 .0036 -1 1 0
3.7903 3.7885 .0017 1 0 2
3.1802 3.1831 -.0028 2 0 0
2.7302 2.7302 .0000 1 -1 3
2.5302 2.5294 .0008 -1 -2 1
2.3001 2.3017 -.0016 -1 0 3
2.1801 2.1804 -.0003 -1 2 1
2.0902 2.0889 .0013 0 -1 4
1.9821 1.9815 .0006 -2 1 2
A= 6.527 DA= .004
B= 5.6859 DB= .0005
C= 8.602 DC= .009
GAMMA= 93.054 DGAMMA= .007
BETA = 77.26 DBETA = .05
ALPHA=106.676 DALPHA= .003
V= 298.3
7. 24-0570
Pb2Fe{CN}6
Triklin
Dexp Dcal d(D) h k l
6.2403 6.2443 -.0040 0 1 0
5.4005 5.4027 -.0022 1 -1 0
4.0803 4.0807 -.0005 1 -1 1
3.5502 3.5409 .0094 3 0 0
3.0702 3.0693 .0009 3 1 0
2.9802 2.9888 -.0086 1 2 0
2.6802 2.6819 -.0017 2 2 0
2.4802 2.4771 .0031 1 2 1
2.3301 2.3282 .0020 -1 1 2
2.1301 2.1298 .0003 -3 -1 2
2.0401 2.0394 .0007 1 3 0
1.9211 1.9217 -.0006 0 2 2
A= 10.6243 DA= .0005
B= 6.309 DB= .002
C= 5.510 DC= .002
GAMMA= 90.35 DGAMMA= .02
BETA = 90.89 DBETA = .03
ALPHA= 98.23 DALPHA= .01
V=365.2
8. 24-0518
FeMn2{CN}6
Triklin
Grupa 3
Dexp Dcal d(D) h k l
6.3504 6.3470 .0034 0 1 0
5.2303 5.2280 .0023 1 1 0
4.3802 4.3802 .0000 -1 1 1
3.7302 3.7299 .0003 2 1 0
3.0302 3.0283 .0019 0 2 1
2.7302 2.7317 -.0015 -2 1 2
2.6302 2.6303 -.0002 2 2 1
2.2702 2.2685 .0017 -2 1 3
2.2002 2.2001 .0001 4 0 3
1.8501 1.8512 -.0011 3 2 4
1.7521 1.7516 .0005 1 2 5
1.6611 1.6616 -.0005 3 2 5
a= 9.58 b= 6.35 c= 10.5174 beta=74.33
da= .01 db=.01 dc=.0004 dbet=.04
V= 615.5
Triklin
Dexp Dcal d(D) h k l
6.3504 6.3519 -.0015 1 0 0
5.2303 5.2302 .0001 0 1 0
4.3802 4.3788 .0014 0 1 1
3.7302 3.7315 -.0013 1 0 1
3.0302 3.0296 .0006 2 1 0
2.7302 2.7301 .0001 1 -1 1
2.6302 2.6329 -.0027 1 2 0
2.2702 2.2702 -.0001 -3 0 1
2.2002 2.1997 .0005 -2 -2 1
1.8501 1.8501 .0000 3 1 1
1.7521 1.7516 .0005 0 -1 3
1.6611 1.6612 -.0001 -2 2 3
A= 6.9071 DA= .0007
B= 5.407 DB= .001
C= 6.457 DC= .001
GAMMA= 80.43 DGAMMA= .01
BETA =109.41 DBETA = .01
ALPHA= 82.82 DALPHA= .02
V= 220.02
9. 24-0618
FeMn2{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
6.5604 6.5573 .0030 0 -1 1
6.2004 6.1854 .0150 1 1 0
5.4303 5.4439 -.0135 -1 2 0
5.1904 5.1761 .0143 1 -1 1
4.7104 4.7199 -.0096 0 2 1
4.3904 4.3969 -.0065 2 0 0
4.0203 4.0204 -.0001 -2 2 0
3.8402 3.8416 -.0014 -1 3 0
3.6902 3.6906 -.0004 -1 -1 2
3.5303 3.5218 .0084 -2 1 2
3.4302 3.4344 -.0042 1 0 2
3.1203 3.1174 .0029 -3 1 1
A= 9.4215 DA= .0007
B= 11.745 DB= .002
C= 8.5186 DC= .0005
GAMMA=106.24 DGAMMA= .01
BETA =104.584 DBETA = .005
ALPHA= 84.33 DALPHA= .01
V=875.9
10. 24-0621
Mg2Fe{CN}6*10H2O
Triklin
Dexp Dcal d(D) h k l
8.0305 8.0303 .0001 1 0 0
7.3903 7.4258 -.0355 1 1 0
6.6807 6.6636 .0170 0 0 1
6.2306 6.2363 -.0057 -1 0 1
4.7304 4.7268 .0036 1 1 1
4.5003 4.5013 -.0010 2 1 0
4.2603 4.2464 .0139 -2 -1 1
4.0904 4.0852 .0051 -2 0 1
3.5102 3.5145 -.0043 -1 0 2
3.3902 3.3931 -.0029 -2 -2 1
3.2002 3.1982 .0020 -1 1 2
3.0802 3.0806 -.0004 -3 -1 1
A= 9.389 DA= .002
B= 8.4221 DB= .0003
C= 7.07197 DC= .00543
GAMMA= 64.9414 DGAMMA= .0004
BETA =105.73 DBETA = .07
ALPHA= 86.37 DALPHA= .08
V=477.1
11. 24-1167
Na2Zn3{Fe{CN}6}2
Triklin
Dexp Dcal d(D) h k l
6.2804 6.2851 -.0047 0 1 1
5.4405 5.4405 .0000 1 0 1
4.5304 4.5348 -.0044 0 -1 1
4.1303 4.1342 -.0038 1 1 2
4.0604 4.0626 -.0022 0 1 2
3.6002 3.6034 -.0032 1 0 2
3.4803 3.4782 .0021 1 2 2
3.1602 3.1605 -.0002 2 1 2
3.0102 3.0102 -.0000 -2 -1 1
2.7102 2.7094 .0008 -1 2 1
2.6702 2.6707 -.0006 -1 2 0
2.5702 2.5689 .0012 1 0 3
2.5302 2.5305 -.0003 0 2 3
2.3802 2.3802 .0000 3 2 2
A= 7.572 DA= .001
B= 8.0445 DB= .0002
C= 8.7218 DC= .0003
GAMMA= 63.92 DGAMMA= .01
BETA = 75.304 DBETA = .006
ALPHA= 67.125 DALPHA= .006
V=437.3
12. 24-1294
Tl2Fe5F17
Triklin
Dexp Dcal d(D) h k l
6.4006 6.4048 -.0042 1 1 1
3.7403 3.7352 .0051 -1 -1 1
3.5702 3.5739 -.0037 2 0 1
3.2403 3.2458 -.0055 0 2 1
3.2003 3.2024 -.0022 2 2 2
2.6662 2.6679 -.0017 3 1 0
2.6442 2.6461 -.0019 0 1 3
2.4622 2.4620 .0002 0 -2 1
2.4421 2.4462 -.0041 1 0 3
2.3351 2.3341 .0011 -2 -2 1
2.2541 2.2555 -.0013 -2 1 2
2.1401 2.1440 -.0039 2 -1 2
A= 8.5886 DA= .0007
B= 7.374 DB= .003
C= 8.509 DC= .007
GAMMA= 61.72 DGAMMA= .02
BETA = 68.94 DBETA = .04
ALPHA= 60.89 DALPHA= .03
V=408.8
13. 24-1441
Zn2Fe{CN}6
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
4.3303 4.3456 -.0153 1 1 0
3.8002 3.7929 .0073 0 0 1
3.2902 3.2924 -.0022 1 0 1
3.1603 3.1667 -.0064 0 1 1
2.8602 2.8576 .0027 1 1 1
2.6402 2.6390 .0012 1 2 0
2.2902 2.2900 .0002 2 1 1
a= 6.631 b= 5.75 c= 3.793
da= .002 db= .01 dc= .002
V= 144.7
14. 24-1780
C10H24Br2FeN4
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
8.5003 8.5008 -.0005 0 0 1
7.7006 7.6884 .0122 2 0 0
4.3903 4.3895 .0008 3 0 1
4.2604 4.2504 .0100 0 0 2
4.0903 4.0968 -.0065 1 0 2
3.7503 3.7568 -.0066 0 1 0
3.3802 3.3754 .0048 2 1 0
2.8502 2.8511 -.0009 4 0 2
a=15.38 b= 3.757 c= 8.501
da= .01 db= .002 dc= .003
V= 491.1
15. 24-1781
C10H24FeI3N4
Triklin
Dexp Dcal d(D) h k l
10.9005 10.9082 -.0077 1 0 0
10.3007 10.2906 .0101 -1 1 0
6.0605 6.0611 -.0006 -1 -1 1
5.2204 5.2206 -.0002 -2 1 1
5.1203 5.1208 -.0004 -2 0 1
4.2203 4.2197 .0006 -2 -1 1
4.0704 4.0707 -.0003 0 -2 2
3.9503 3.9501 .0001 0 1 2
3.7303 3.7299 .0004 0 -3 1
3.6603 3.6607 -.0004 0 3 0
3.5203 3.5202 .0001 1 2 1
3.4303 3.4302 .0001 -3 3 0
A= 12.153 DA= .001
B= 12.412 DB= .001
C= 9.621 DC= .001
GAMMA=114.19 DGAMMA= .03
BETA = 94.79 DBETA = .01
ALPHA=100.80 DALPHA= .01
V= 1279.6
16. 24-1782
C14H32Cl2FeN4O9
Triklin
Dexp Dcal d(D) h k l
11.2007 11.1986 .0021 1 0 0
9.9006 9.9010 -.0004 0 1 0
6.8004 6.8007 -.0002 -1 0 1
5.1804 5.1803 .0002 -1 -1 1
4.9704 4.9702 .0002 -2 1 0
4.7503 4.7505 -.0002 1 -1 2
4.4604 4.4605 -.0001 -1 0 2
4.0704 4.0704 -.0000 2 1 3
3.9602 3.9603 -.0000 0 1 3
3.8503 3.8501 .0001 0 0 3
Param.:
A= 12.24 DA= .01
B= 10.292 DB= .002
C= 13.07 DC= .01
GAMMA= 86.08 DGAMMA= .03
BETA = 66.38 DBETA = .05
ALPHA= 74.36 DALPHA= .01
V= 1451.1
17. 24-1785
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.6005 5.5851 .0154 1 0 1
5.2204 5.2179 .0025 0 1 2
4.8903 4.8818 .0084 1 1 0
4.7503 4.7451 .0052 1 1 1
4.5103 4.4983 .0120 0 2 0
4.2703 4.2702 .0001 0 0 3
4.1103 4.1151 -.0048 1 1 2
3.5503 3.5573 -.0070 1 2 0
a= 5.87 b= 8.997 c= 12.92990 beta= 82.21
da=.02 db=.005 dc= .00003 dbet= .07
V= 676.1
1. 25-1983
C6H11Fe2O6
Triklin
Dexp Dcal d(D) h k l
8.2103 8.1952 .0151 -1 1 0
7.4907 7.4804 .0102 1 1 0
5.3404 5.3464 -.0060 0 -1 1
4.9804 4.9843 -.0040 0 1 1
4.6004 4.6000 .0004 1 3 0
4.4803 4.4806 -.0003 1 -2 1
4.3503 4.3514 -.0011 0 4 0
4.2203 4.2211 -.0009 0 -3 1
4.0603 4.0538 .0065 -1 -2 1
3.7302 3.7287 .0015 0 3 1
3.5102 3.5099 .0003 1 -4 1
3.4603 3.4601 .0002 2 -2 1
A= 8.826 DA= .003
B= 17.6723 DB= .0009
C= 5.455 DC= .001
GAMMA= 97.01 DGAMMA= .06
BETA = 85.703 DBETA = .002
ALPHA= 97.570 DALPHA= .009
V=835.6
1. 26-1318
NaFeAl2Si4O13*3H2O
Triklin
Dexp Dcal d(D) h k l
8.2103 8.1997 .0107 -1 1 0
7.4907 7.4704 .0203 1 1 0
5.3404 5.3495 -.0091 0 -1 1
4.9804 4.9844 -.0040 0 1 1
4.6004 4.5927 .0077 1 3 0
4.4803 4.4765 .0038 -1 0 1
4.3503 4.3510 -.0008 0 2 1
4.2203 4.2227 -.0024 0 -3 1
4.0603 4.0534 .0069 -1 -2 1
3.7302 3.7267 .0035 0 3 1
3.5102 3.5126 -.0024 1 -4 1
3.4603 3.4619 -.0016 2 -2 1
A= 8.8241 DA= .0001
B= 17.6668 DB= .0004
C= 5.45787 DC= .00008
GAMMA= 97.1506 DGAMMA= .0009
BETA = 85.7077 DBETA = .0002
ALPHA= 97.628 DALPHA= .001
V=836.1
1. 27-0253
FeSiC
Triklin
Dexp Dcal d(D) h k l
3.7202 3.7197 .0005 0 0 1
2.7402 2.7338 .0063 1 1 1
2.5402 2.5383 .0019 -1 -1 1
2.2301 2.2306 -.0005 1 -1 1
1.8601 1.8599 .0003 0 0 2
1.7151 1.7152 -.0001 1 1 2
1.6231 1.6231 .0000 -2 2 0
1.5001 1.5001 -.0000 2 3 1
1.4631 1.4627 .0004 1 3 2
1.2027 1.2024 .0003 0 -3 2
1.2691 1.2691 -.0000 1 4 2
1.2021 1.2024 -.0003 0 -3 2
A= 4.3687 DA= .0005
B= 6.0024 DB= .0007
C= 3.838 DC= .002
GAMMA= 82.92 DGAMMA= .01
BETA = 93.52 DBETA = .03
ALPHA= 76.74 DALPHA= .01
V= 96.8
2. 27-0437
KPr{Fe{CN}6}
Triklin
Dexp Dcal d(D) h k l
5.3403 5.3351 .0052 -1 1 0
3.6503 3.6517 -.0014 1 1 0
3.1513 3.1529 -.0016 1 1 1
2.8802 2.8806 -.0004 2 0 0
2.6102 2.6092 .0010 0 2 1
2.5102 2.5110 -.0008 1 1 2
2.3402 2.3377 .0025 2 -3 1
2.2802 2.2789 .0013 -1 -1 3
2.1201 2.1214 -.0012 0 -1 4
2.0901 2.0905 -.0003 -1 2 2
2.0002 2.0014 -.0012 3 -2 3
1.9431 1.9424 .0007 1 0 4
A= 6.533 DA= .004
B= 7.708 DB= .001
C= 8.994 DC= .009
GAMMA=117.11 DGAMMA= .04
BETA = 71.19 DBETA = .04
ALPHA=118.13 DALPHA= .08
V=352.2
3. 27-1415
Na2Fe4.6+2Fe2+3Mg0.4Si8O22{OH}2
Triklin
Dexp Dcal d(D) h k l
8.6708 8.6833 -.0125 1 0 0
8.3506 8.3606 -.0100 0 1 0
4.5003 4.4987 .0016 1 0 2
3.4153 3.4162 -.0009 2 0 2
3.2592 3.2603 -.0010 0 -2 2
3.1022 3.1023 -.0001 2 1 2
2.9703 2.9700 .0002 -1 -2 2
2.7882 2.7869 .0013 0 3 0
2.7202 2.7208 -.0007 2 -2 2
2.6002 2.6017 -.0015 1 -2 3
2.5312 2.5315 -.0003 1 3 1
2.3172 2.3173 -.0001 -3 -1 2
A= 8.7189 DA= .0002
B= 8.374 DB= .003
C= 10.0778 DC= .0004
GAMMA= 92.76 DGAMMA= .02
BETA = 85.531 DBETA = .006
ALPHA= 91.90 DALPHA= .01
V=732.2
4. 27-1529
C54H45BrCl3CuFeP3
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.3702 10.2950 .0752 1 0 1
9.9610 10.0181 -.0572 1 1 0
9.3811 9.4134 -.0323 -1 0 1
8.2104 8.2146 -.0042 1 1 1
7.8308 7.7454 .0855 -1 1 1
6.5003 6.4953 .0050 2 1 0
5.6103 5.6493 -.0390 -2 1 1
5.1503 5.1475 .0028 2 0 2
4.9305 4.9256 .0049 3 0 0
4.7504 4.7553 -.0049 3 0 1
4.5304 4.5428 -.0124 0 3 0
4.3403 4.3422 -.0019 1 3 0
a= 14.84 b= 13.6283 c= 13.206 beta= 84.8
da=.02 db=.0004 dc=.004 dbeta=.1
V= 2660
Triklin
Dexp Dcal d(D) h k l
10.3702 10.3611 .0091 1 0 0
9.9610 9.9316 .0294 0 1 0
9.3811 9.4043 -.0233 -1 0 1
8.2104 8.2058 .0046 0 -1 1
7.8308 7.8286 .0023 1 1 0
6.5003 6.5034 -.0031 -1 0 2
5.6103 5.6123 -.0020 0 1 2
5.1503 5.1408 .0095 -1 1 2
4.9305 4.9311 -.0006 2 1 0
4.7504 4.7517 -.0013 1 1 2
4.5304 4.5304 -.0000 1 -1 2
4.3403 4.3388 .0015 2 1 1
A= 10.808 DA= .001
B= 10.089 DB= .003
C= 14.3208 DC= .0009
GAMMA= 80.024 DGAMMA= .003
BETA =103.745 DBETA = .006
ALPHA= 94.11 DALPHA= .01
V=1493.2
5. 27-1530
C54H45BrCl3CuFeP3
Triklin
Dexp Dcal d(D) h k l
10.9011 10.8935 .0076 1 0 1
9.8306 9.8311 -.0005 0 1 0
9.0011 8.9999 .0012 -1 1 0
7.9203 7.9142 .0060 -1 1 1
7.1708 7.1572 .0136 0 1 2
6.5607 6.5562 .0045 1 1 0
6.2704 6.2546 .0158 0 0 3
5.9104 5.9033 .0071 1 1 2
5.5303 5.5360 -.0057 0 1 3
4.8703 4.8772 -.0068 0 2 1
4.6904 4.6925 -.0021 1 0 4
4.5004 4.4999 .0004 -2 2 0
A= 12.389 DA= .003
B= 10.352 DB= .005
C= 19.18 DC= .05
GAMMA=107.34 DGAMMA= .04
BETA = 79.52 DBETA = .02
ALPHA= 87.69 DALPHA= .09
V= 2297
6. 27-1531
C54H45Cl4CuFeP3
Triklin
Dexp Dcal d(D) h k l
10.4006 10.3732 .0275 -1 0 1
9.9009 9.8401 .0608 0 1 0
9.3307 9.3305 .0002 0 1 1
8.2310 8.1751 .0559 -1 1 0
7.8308 7.8413 -.0105 0 0 2
6.4303 6.4280 .0023 -1 -1 1
5.5703 5.5714 -.0011 -2 1 0
5.1103 5.1147 -.0045 -1 -1 2
4.9104 4.9122 -.0017 -1 2 1
4.7504 4.7526 -.0022 -1 2 0
4.4603 4.4588 .0015 1 2 1
4.3303 4.3193 .0110 -2 1 3
A= 12.77 DA= .01
B= 10.186 DB= .002
C= 16.239 DC= .004
GAMMA= 97.57 DGAMMA= .03
BETA = 97.71 DBETA = .07
ALPHA= 76.24 DALPHA= .02
V=2022
7. 27-1532
C54H45Cl4CuFeP3
Triklin
Dexp Dcal d(D) h k l
10.9011 10.8922 .0089 1 0 0
9.8306 9.8512 -.0206 0 1 1
9.0011 9.0001 .0009 0 -1 1
7.8704 7.8701 .0003 1 -1 1
7.1708 7.1680 .0028 0 2 0
6.5607 6.5741 -.0134 1 1 1
6.2704 6.2742 -.0038 -1 -1 1
5.9104 5.9068 .0037 0 1 2
5.5303 5.5264 .0039 0 -1 2
4.8603 4.8692 -.0089 -1 3 1
4.6904 4.6861 .0043 -1 -2 1
4.5004 4.5001 .0003 0 -2 2
A= 11.644 DA= .005
B= 15.389 DB= .001
C= 12.499 DC= .003
GAMMA=110.71 DGAMMA= .02
BETA = 91.51 DBETA = .01
ALPHA= 84.59 DALPHA= .01
V= 2085.7
8. 27-1686
C10H12FeO8S4*6H2O
Triklin
Dexp Dcal d(D) h k l
7.3704 7.3572 .0132 1 0 0
5.6403 5.6676 -.0274 1 1 1
4.9202 4.9208 -.0005 0 -1 1
4.4403 4.4414 -.0011 0 0 2
4.2303 4.2269 .0034 -1 1 0
3.8403 3.8384 .0019 2 1 1
3.6003 3.6058 -.0055 2 0 1
3.3102 3.3103 -.0001 2 1 2
3.0602 3.0576 .0027 1 -1 2
2.7402 2.7396 .0006 2 -1 1
2.5402 2.5397 .0005 1 2 3
2.3602 2.3601 .0001 3 2 2
A= 7.99 DA= .01
B= 7.051 DB= .007
C= 9.202 DC= .001
GAMMA= 68.76 DGAMMA= .04
BETA = 77.29 DBETA = .05
ALPHA= 77.85 DALPHA= .04
V= 466.6
9. 27-1687
C6H8FeO4S2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.3409 8.3352 .0057 1 1 0
6.1903 6.1844 .0060 1 1 1
4.7202 4.7170 .0033 0 2 1
4.1703 4.1676 .0027 2 2 0
3.7203 3.7223 -.0020 0 0 2
3.5602 3.5601 .0001 0 1 2
3.1102 3.1092 .0011 3 0 2
2.6902 2.6899 .0003 2 3 2
2.3802 2.3795 .0007 3 4 0
2.3101 2.3091 .0011 1 5 1
2.0601 2.0602 -.0000 -2 4 2
2.0001 2.0009 -.0008 1 6 0
a=11.851 b= 12.194 c= 7.7259 beta= 74.48
da=.001 db=.006 dc= .0009 dbeta=.05
V= 1076
Triklin
Dexp Dcal d(D) h k l
8.3409 8.3573 -.0164 1 0 0
6.1903 6.1806 .0097 0 1 0
4.7202 4.7203 -.0000 0 -1 2
4.1703 4.1710 -.0006 1 -1 2
3.7203 3.7213 -.0010 -2 1 0
3.5602 3.5603 -.0001 -2 1 1
3.1102 3.1086 .0016 0 -2 1
2.6902 2.6901 .0000 -3 1 0
2.3802 2.3804 -.0002 1 2 2
2.3101 2.3101 .0001 2 -2 3
2.0601 2.0602 -.0001 0 3 0
2.0001 2.0001 .0001 -1 -1 6
A= 8.4739 DA= .0007
B= 6.3061 DB= .0005
C= 12.4471 DC= .0005
GAMMA= 97.61 DGAMMA= .01
BETA = 94.598 DBETA = .006
ALPHA= 97.873 DALPHA= .008
V= 649.8
10. 27-1688
C6H9FeO5S2*2H2O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
8.2607 8.2692 -.0084 1 1 0
6.0605 6.0646 -.0041 0 1 1
5.7903 5.7945 -.0042 1 1 1
5.2404 5.2455 -.0051 2 1 0
5.0304 5.0333 -.0029 2 0 1
4.0503 4.0413 .0090 -1 2 1
3.5902 3.5998 -.0096 1 0 2
3.1802 3.1798 .0004 -3 0 1
2.9202 2.9228 -.0026 4 0 1
2.5302 2.5294 .0008 -2 2 2
2.3402 2.3421 -.0020 4 3 0
2.3101 2.3099 .0003 4 2 2
a= 11.9802 b= 11.64 c= 7.24 beta= 78.81
da=.0005 db=.01 dc=.03 dbet=.03
V= 991
Triklin
Dexp Dcal d(D) h k l
8.2607 8.2547 .0060 1 0 0
6.0605 6.0721 -.0117 0 1 0
5.7903 5.7896 .0007 -1 0 1
5.2404 5.2512 -.0108 -1 -1 1
5.0304 5.0275 .0029 1 0 1
4.0503 4.0524 -.0021 2 1 0
3.5902 3.5887 .0015 -1 1 1
3.1802 3.1803 -.0000 2 1 1
2.9202 2.9194 .0008 2 2 0
2.5302 2.5298 .0004 -3 -1 2
2.3402 2.3398 .0003 0 -1 3
2.3101 2.3110 -.0009 -2 -1 3
A= 8.889 DA= .002
B= 6.576 DB= .001
C= 7.345 DC= .001
GAMMA= 69.742 DGAMMA= .008
BETA =102.17 DBETA = .02
ALPHA=103.59 DALPHA= .01
V= 387.5
11. 27-1689
C24H18FeN3O9
Triklin
Dexp Dcal d(D) h k l
14.4000 14.4041 -.0041 1 0 0
12.8003 12.7980 .0023 0 1 0
9.1610 9.1566 .0044 0 0 1
7.9005 7.9040 -.0034 1 0 1
5.9803 5.9755 .0047 0 2 1
5.3403 5.3336 .0067 -2 2 1
5.1004 5.0987 .0017 2 1 1
4.6804 4.6896 -.0092 0 1 2
3.8403 3.8433 -.0030 -3 3 0
3.1402 3.1368 .0034 4 1 1
2.7202 2.7198 .0004 2 2 3
2.2201 2.2199 .0002 -5 -2 1
A= 15.177 DA= .007
B= 13.890 DB= .002
C= 9.447 DC= .006
GAMMA=108.16 DGAMMA= .03
BETA = 91.74 DBETA = .09
ALPHA= 76.02 DALPHA= .01
V=1835.5
Triklin
Dexp Dcal d(D) h k l
14.4000 14.4008 -.0008 0 1 0
12.8003 12.8009 -.0006 0 0 1
9.1610 9.1592 .0018 1 1 0
7.9005 7.9012 -.0007 0 -2 1
5.9803 5.9794 .0009 2 0 0
5.3403 5.3408 -.0005 -1 -2 2
5.1004 5.0895 .0108 0 1 2
4.6804 4.6784 .0019 0 -1 3
3.8403 3.8403 .0000 -1 -3 3
3.1402 3.1402 -.0000 -3 2 1
2.7202 2.7202 .0000 -2 -5 1
2.2201 2.2204 -.0003 2 6 0
A= 12.0576 DA= .0007
B= 15.9996 DB= .0002
C= 14.3098 DC= .0007
GAMMA= 93.657 DGAMMA= .002
BETA = 82.685 DBETA = .008
ALPHA=115.84 DALPHA= .01
V= 2464.49
12. 27-1690
C36H24Cl2FeN6O11
Triklin
Dexp Dcal d(D) h k l
6.9607 6.9518 .0089 1 0 1
6.7504 6.7558 -.0054 0 -1 1
5.6004 5.5935 .0069 0 0 2
5.5303 5.5408 -.0106 -1 0 1
5.3403 5.3375 .0028 1 1 0
5.2704 5.2434 .0269 1 1 1
5.0905 5.0818 .0087 1 0 2
4.9204 4.9020 .0185 -1 1 1
4.3103 4.3184 -.0080 1 1 2
4.1302 4.1171 .0132 0 2 1
4.0002 4.0005 -.0003 -1 0 2
3.9302 3.9354 -.0052 -1 2 0
A= 7.5891 DA= .0007
B= 8.774 DB= .001
C= 11.535 DC= .001
GAMMA= 95.74 DGAMMA= .01
BETA = 76.0684 DBETA = .0002
ALPHA= 89.28 DALPHA= .02
V=739.1
13. 27-1691
C12H12Cl2FeN6O11*H2O
Triklin
Dexp Dcal d(D) h k l
4.9804 4.9726 .0078 -2 0 1
4.6404 4.6457 -.0053 -1 1 0
4.5703 4.5552 .0152 0 1 1
4.5203 4.5190 .0013 0 -1 1
4.4803 4.4775 .0029 -1 0 2
4.3502 4.3599 -.0097 1 1 1
4.2504 4.2570 -.0067 1 -1 1
4.1703 4.1713 -.0010 -1 1 1
3.8503 3.8413 .0090 -2 1 0
3.6902 3.6889 .0013 -2 0 2
3.6203 3.6225 -.0022 -3 0 1
3.5903 3.5894 .0009 -2 -1 1
3.1402 3.1408 -.0006 -1 0 3
2.9702 2.9697 .0006 4 0 1
2.9202 2.9222 -.0020 -3 1 1
A= 12.1434 DA= .0001
B= 5.09295 DB= .00006
C= 10.0480 DC= .0002
GAMMA= 88.361 DGAMMA= .001
BETA = 84.670 DBETA = .001
ALPHA= 89.2911 DALPHA= .0002
V=618.2
14. 27-1692
C27H18FeN3O3
Triklin
Dexp Dcal d(D) h k l
13.0015 13.0659 -.0645 0 1 0
7.6303 7.6473 -.0170 -1 1 0
6.8104 6.7971 .0133 0 1 1
6.4405 6.4640 -.0235 0 -1 1
5.7503 5.7653 -.0150 -1 2 0
5.3903 5.3754 .0149 -1 0 1
5.1305 5.1249 .0056 0 2 1
4.6004 4.5904 .0100 1 -2 1
4.2704 4.2723 -.0019 -1 3 0
4.0403 4.0414 -.0011 1 2 1
3.8403 3.8426 -.0023 0 0 2
3.6303 3.6305 -.0001 0 -1 2
A= 8.192 DA= .007
B= 13.467 DB= .001
C= 7.7054 DC= .0002
GAMMA=103.64 DGAMMA= .04
BETA = 87.48 DBETA = .05
ALPHA= 87.406 DALPHA= .007
V=821.8
15. 27-1990
C24H36Ag6Fe2N24
Triklin
Dexp Dcal d(D) h k l
6.1204 6.1181 .0023 -1 0 1
5.1202 5.1203 -.0001 0 1 1
4.6103 4.6153 -.0050 0 -1 1
3.9603 3.9606 -.0003 0 0 2
3.8803 3.8792 .0011 -1 1 1
3.7102 3.7082 .0020 -2 -1 1
3.4602 3.4598 .0004 -1 -1 2
3.2802 3.2794 .0008 1 -1 1
2.9502 2.9505 -.0003 2 2 0
2.6702 2.6703 -.0001 -2 1 0
2.5602 2.5602 .0000 0 2 2
2.3102 2.3104 -.0002 -3 0 2
A= 7.935 DA= .002
B= 6.639 DB= .005
C= 8.183 DC= .001
GAMMA= 68.26 DGAMMA= .02
BETA =103.20 DBETA = .03
ALPHA= 89.31 DALPHA= .03
V= 387.6