1. 28-0042
{NH4}2{Al,Fe}{P2O7}OH*3H2O
Rombik
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
16.4027 16.3876 .0150 1 0 0
9.4612 9.4379 .0233 0 1 0
8.2203 8.1938 .0265 2 0 0
5.6404 5.6345 .0059 0 1 1
4.7204 4.7190 .0014 0 2 0
4.6404 4.6427 -.0024 2 1 1
4.5402 4.5347 .0055 1 2 0
3.5703 3.5710 -.0007 3 2 0
3.5102 3.5118 -.0016 0 0 2
3.3102 3.3136 -.0034 4 1 1
3.2802 3.2775 .0027 5 0 0
3.1852 3.1832 .0021 3 2 1
a=16.388 b= 9.438 c= 7.024
da= .008 db= .006 dc= .003
V=1086
2. 28-0070
{NH4}4Fe{CN}6*H2O
Triklin
Dexp Dcal d(D) h k l
6.8104 6.8171 -.0067 1 1 0
6.4503 6.4587 -.0083 -1 1 1
5.3203 5.3220 -.0017 -1 -1 1
4.8503 4.8410 .0093 -2 0 1
4.5703 4.5764 -.0060 -1 1 2
4.2103 4.2127 -.0024 -1 2 1
4.1403 4.1357 .0046 -2 1 0
4.1102 4.1073 .0030 -2 -1 1
3.7203 3.7213 -.0009 1 0 2
3.6003 3.6015 -.0013 0 -1 2
3.3403 3.3420 -.0017 -3 0 1
3.2402 3.2412 -.0010 3 0 0
A= 10.0777 DA= .0004
B= 9.295 DB= .001
C= 9.71421 DC= .00006
GAMMA= 90.162 DGAMMA= .001
BETA =104.634 DBETA = .002
ALPHA= 73.361 DALPHA= .003
V=840.5
3. 28-0141
Ba2Fe6O11
Triklin
Dexp Dcal d(D) h k l
11.5011 11.4812 .0200 1 0 0
5.7505 5.7516 -.0011 -1 1 1
5.0504 5.0547 -.0043 1 -1 1
4.7203 4.7219 -.0016 -2 0 2
4.4404 4.4434 -.0030 -1 -1 2
4.2904 4.2930 -.0026 -1 1 2
4.1702 4.1772 -.0070 1 0 2
4.0803 4.0769 .0033 -3 0 1
3.8302 3.8271 .0032 3 0 0
3.5202 3.5226 -.0024 -2 0 3
3.4503 3.4477 .0026 1 2 0
3.3302 3.3339 -.0037 3 1 0
A= 12.240 DA= .001
B= 7.340 DB= .001
C= 10.9458 DC= .0009
GAMMA= 91.513 DGAMMA= .006
BETA =110.15 DBETA = .01
ALPHA= 92.35 DALPHA= .04
V=922.2
4. 28-0142
Ba2Fe6O11
Triklin
Dexp Dcal d(D) h k l
11.4018 11.3794 .0225 1 0 0
5.0405 5.0548 -.0143 0 1 1
4.7106 4.7101 .0005 -2 -1 1
4.4406 4.4417 -.0011 1 2 0
4.3805 4.3758 .0047 -1 -2 1
4.2904 4.2930 -.0026 -2 0 1
4.1704 4.1695 .0009 0 2 0
4.0905 4.0884 .0021 -2 1 0
3.8704 3.8713 -.0010 1 -1 2
3.8503 3.8514 -.0011 -1 -1 2
3.5304 3.5306 -.0003 -3 -1 1
3.5203 3.5214 -.0010 1 2 1
A= 12.16 DA= .01
B= 9.200 DB= .001
C= 8.377 DC= .001
GAMMA= 71.80 DGAMMA= .03
BETA = 85.56 DBETA = .09
ALPHA=105.04 DALPHA= .06
V=847.1
5. 28-0143
Ba2Fe6O11
Triklin
Dexp Dcal d(D) h k l
4.7504 4.7423 .0081 -1 1 1
4.4703 4.4712 -.0010 -1 -1 2
4.3104 4.2982 .0122 2 0 0
3.9002 3.8986 .0016 1 -1 3
3.8003 3.7954 .0049 2 -1 2
3.5302 3.5336 -.0034 -1 1 2
3.3403 3.3432 -.0029 2 -2 2
3.2503 3.2497 .0005 0 4 0
3.1002 3.1018 -.0016 3 1 1
3.0702 3.0641 .0061 -1 0 3
2.9242 2.9224 .0018 1 -2 4
2.9132 2.9153 -.0021 2 2 3
A= 9.3135 DA= .0007
B= 14.22 DB= .01
C= 12.014 DC= .006
GAMMA= 75.74 DGAMMA= .07
BETA = 77.21 DBETA = .03
ALPHA=105.06 DALPHA= .08
V=1419.4
6. 28-0144
Ba5Fe14O26
Triklin
Dexp Dcal d(D) h k l
16.3008 16.3308 -.0299 1 0 0
5.4203 5.4190 .0013 0 1 1
5.1905 5.1839 .0066 1 -2 1
4.9504 4.9516 -.0012 1 1 1
4.6803 4.6828 -.0026 2 2 0
4.4703 4.4679 .0023 -1 3 0
4.3803 4.3864 -.0061 0 3 0
4.3202 4.3187 .0015 -3 0 1
4.2504 4.2502 .0002 -1 2 1
4.1403 4.1428 -.0026 -4 1 0
4.0704 4.0738 -.0035 3 0 1
3.8303 3.8302 .0000 -1 -3 1
A= 16.67 DA= .01
B= 13.750 DB= .002
C= 6.733 DC= .002
GAMMA=101.171 DGAMMA= .006
BETA = 90.91 DBETA = .03
ALPHA=102.29 DALPHA= .01
V= 1477.2
7. 28-0227
{NH4}5Fe{P2O7}2*4H2O
Triklin
Dexp Dcal d(D) h k l
8.8510 8.8536 -.0026 0 1 1
8.6406 8.6758 -.0352 0 -1 1
8.0103 8.0117 -.0014 -1 1 0
7.7603 7.7917 -.0314 0 2 1
7.2807 7.2735 .0071 -1 2 0
7.0107 7.0384 -.0277 1 -1 1
6.8603 6.8652 -.0049 0 4 0
6.6203 6.6171 .0031 0 3 1
6.5203 6.4857 .0346 1 -2 1
6.2903 6.2822 .0082 1 2 1
5.8835 5.8916 -.0080 1 3 0
5.7723 5.7723 -.0001 1 -3 1
A= 8.5463 DA= .0004
B= 27.5381 DB= .0004
C= 9.6284 DC= .0004
GAMMA= 93.8516 DGAMMA= .0002
BETA = 73.9334 DBETA = .0001
ALPHA= 89.2283 DALPHA= .0006
V=2168.2
8. 28-0248
{NH4}9Fe{P2O7}3*9H2O
Triklin
Dexp Dcal d(D) h k l
15.2018 15.2085 -.0068 1 0 0
8.7610 8.7390 .0220 -1 1 0
7.6003 7.6043 -.0040 2 0 0
5.7105 5.7088 .0017 2 0 1
5.3605 5.3651 -.0046 2 1 0
5.0703 5.0695 .0008 3 0 0
4.1903 4.1974 -.0071 1 2 0
4.1403 4.1347 .0056 3 -1 1
4.0303 4.0231 .0073 1 2 1
3.7903 3.7912 -.0009 1 0 2
3.6803 3.6806 -.0003 1 1 2
3.4503 3.4520 -.0017 4 -1 1
A= 15.582 DA= .001
B= 9.59 DB= .01
C= 7.7582 DC= .0004
GAMMA=100.81 DGAMMA= .02
BETA = 85.495 DBETA = .002
ALPHA= 80.62 DALPHA= .03
V= 1115.9
9. 28-0261
{NH4}2Fe{P2O7}OH*2H2O
Triklin
Dexp Dcal d(D) h k l
9.8012 9.8036 -.0024 0 1 1
9.1610 9.1675 -.0065 0 -1 1
7.7105 7.7080 .0025 -1 1 0
7.5008 7.4914 .0093 1 0 1
7.0507 7.0512 -.0005 1 -1 1
5.7903 5.7896 .0007 -1 1 1
5.2205 5.2233 -.0028 -1 2 1
5.1305 5.1309 -.0004 -1 3 0
4.1503 4.1500 .0003 2 0 1
3.7453 3.7457 -.0004 2 0 2
3.6453 3.6455 -.0002 0 5 0
3.5973 3.5971 .0002 -1 3 2
A= 8.3926 DA= .0001
B= 18.3575 DB= .0001
C= 11.4646 DC= .0001
GAMMA= 95.2893 DGAMMA= .0006
BETA = 75.8044 DBETA = .0008
ALPHA= 87.1263 DALPHA= .0006
V=1700.2
10. 28-0295
CsGdFe{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
5.4403 5.4318 .0085 1 1 0
4.1503 4.1467 .0036 -1 1 1
3.8103 3.8134 -.0031 2 0 1
3.6902 3.6894 .0009 1 1 1
3.4003 3.4002 .0001 4 0 0
3.2902 3.2890 .0012 0 2 0
3.0302 3.0312 -.0009 3 -2 0
2.8802 2.8866 -.0065 -2 2 1
2.7302 2.7317 -.0015 -3 2 1
2.6902 2.6900 .0002 4 0 1
2.6202 2.6207 -.0005 0 -2 1
2.5802 2.5796 .0006 2 -2 1
A= 14.081 DA= .003
B= 6.815 DB= .004
C= 4.887 DC= .002
GAMMA=104.391 DGAMMA= .006
BETA = 95.667 DBETA = .005
ALPHA= 83.93 DALPHA= .05
V=450.9
11. 28-0305
CsFeNd{CN}6*5H2O
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
6.4704 6.5234 -.0530 0 1 0
5.3704 5.4749 -.1046 0 0 2
5.3704 5.3509 .0195 1 1 0
4.1903 4.1937 -.0033 0 1 2
3.8103 3.8012 .0090 2 1 0
3.5903 3.5910 -.0008 2 1 1
2.9712 2.9648 .0064 1 2 1
2.6752 2.6754 -.0002 2 2 0
2.2841 2.2871 -.0030 4 0 1
2.2262 2.2283 -.0021 3 1 3
2.1291 2.1323 -.0032 1 0 5
2.0781 2.0794 -.0013 1 3 1
a= 9.355 b= 6.5234 c=10.95
da= .003 db= .0008 dc= .01
V= 668.2
Triklin
Dexp Dcal d(D) h k l
6.4704 6.4940 -.0236 1 1 1
5.3704 5.3481 .0223 1 -1 1
4.1903 4.1881 .0023 -1 1 1
3.8103 3.8128 -.0026 0 1 2
3.5903 3.5898 .0005 2 0 2
2.9712 2.9717 -.0005 -2 2 0
2.6752 2.6741 .0011 2 -2 2
2.2841 2.2846 -.0004 2 4 2
2.2262 2.2270 -.0008 1 -2 3
2.1291 2.1297 -.0005 -1 1 3
2.0781 2.0795 -.0013 -2 4 0
1.8971 1.8968 .0003 -2 -2 2
A= 8.321 DA= .002
B= 10.353 DB= .003
C= 8.775 DC= .001
GAMMA= 83.803 DGAMMA= .009
BETA = 61.570 DBETA = .004
ALPHA= 75.70 DALPHA= .01
V=644.6
12. 28-0306
CaYbFe{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
5.7804 5.7784 .0020 0 1 0
4.7903 4.7949 -.0046 -1 1 0
3.7602 3.7595 .0008 0 -1 2
2.6502 2.6492 .0010 1 -1 3
2.4302 2.4312 -.0010 -2 0 1
2.1801 2.1802 -.0001 -2 1 2
2.0801 2.0794 .0007 2 1 0
1.8971 1.8972 -.0001 -2 -1 2
1.6931 1.6932 -.0001 1 -1 5
1.6361 1.6359 .0002 -1 -3 1
1.5351 1.5351 .0000 2 -4 2
1.5081 1.5079 .0002 -1 1 5
A= 5.533 DA= .001
B= 6.3471 DB= .0001
C= 8.6440 DC= .0007
GAMMA=112.079 DGAMMA= .001
BETA = 83.80 DBETA = .01
ALPHA=102.294 DALPHA= .002
V= 274.8
13. 28-0307
CsLa{Fe{CN}6}*H2O
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
5.4805 5.4852 -.0047 -1 0 2
4.8704 4.8732 -.0028 1 1 1
4.0103 4.0120 -.0017 -2 1 1
3.8003 3.7991 .0012 2 1 1
2.6902 2.6901 .0000 0 1 4
2.5502 2.5499 .0003 1 1 4
2.1602 2.1600 .0001 3 2 2
1.9851 1.9853 -.0001 2 1 5
1.9091 1.9091 .0001 1 0 6
1.7691 1.7685 .0006 4 2 3
1.7241 1.7243 -.0002 0 3 4
1.6371 1.6370 .0001 4 1 5
1.6101 1.6105 -.0004 5 1 4
a= 10.94 b= 6.354 c= 11.958 beta= 96.6
da=.02 db=.009 dc= .001 dbet=.1
V= 826
14. 28-0335
CsSmFe{CN}6*5H2O
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
5.4904 5.4669 .0234 1 1 0
4.6804 4.6906 -.0101 2 0 0
4.2103 4.2130 -.0027 1 1 1
3.8402 3.8476 -.0074 2 1 0
3.6603 3.6592 .0011 -2 1 2
3.3702 3.3652 .0051 -3 0 2
2.6902 2.6947 -.0046 0 2 2
2.6102 2.6104 -.0003 -4 0 2
2.2502 2.2512 -.0011 0 0 4
2.1801 2.1804 -.0002 -4 0 4
2.0401 2.0398 .0003 -4 2 1
2.0001 1.9999 .0002 -5 1 2
a= 10.479 b= 6.73 c= 10.058 beta= 116.45
da=.004 db= .02 dc= .005 dbet=.03
V= 634.8
Triklin
Dexp Dcal d(D) h k l
5.4904 5.4867 .0036 0 1 1
4.6804 4.6789 .0016 0 -1 1
4.2103 4.2140 -.0037 -1 1 1
3.8402 3.8327 .0075 1 -1 1
3.6603 3.6589 .0014 -1 2 0
3.3702 3.3725 -.0022 -1 -1 1
2.6902 2.6876 .0025 0 3 0
2.6102 2.6105 -.0003 -1 2 2
2.2502 2.2512 -.0010 0 3 2
2.1801 2.1808 -.0007 -2 3 0
2.0401 2.0407 -.0005 -1 4 0
2.0001 2.0001 .0000 -1 0 3
A= 5.698 DA= .001
B= 8.369 DB= .002
C= 6.535 DC= .001
GAMMA=102.51 DGAMMA= .03
BETA = 91.70 DBETA = .01
ALPHA= 80.543 DALPHA= .006
V= 300.1
15. 28-0480
FeB6O10*4.5H2O
Triklin
Dexp Dcal d(D) h k l
7.9704 7.9666 .0038 -1 2 0
7.2207 7.2277 -.0070 0 1 1
6.5703 6.5831 -.0128 0 -1 1
6.1806 6.1813 -.0008 -1 3 0
5.8205 5.8265 -.0060 -1 1 1
5.7205 5.7262 -.0056 -1 0 1
5.4303 5.4434 -.0130 1 2 1
4.9004 4.9022 -.0019 -1 3 1
4.7204 4.7091 .0112 1 3 1
4.6304 4.6218 .0086 -1 -2 1
4.3503 4.3473 .0029 1 4 0
4.1603 4.1591 .0012 2 -2 1
A= 10.609 DA= .007
B= 20.972 DB= .001
C= 7.409 DC= .004
GAMMA= 98.22 DGAMMA= .01
BETA = 85.52 DBETA = .01
ALPHA= 82.29 DALPHA= .01
V=1609
16. 28-0481
FeB12O19*5H2O
Triklin
Dexp Dcal d(D) h k l
12.0009 12.0303 -.0294 0 1 0
11.1004 11.1103 -.0099 1 0 0
6.7604 6.7602 .0002 -1 1 1
5.9906 5.9992 -.0086 -1 -1 1
5.5905 5.5912 -.0006 0 2 1
4.6804 4.6762 .0042 -2 -1 1
4.2603 4.2568 .0035 -1 1 2
3.8103 3.8134 -.0032 1 1 2
3.7302 3.7347 -.0045 -2 0 2
3.5002 3.4948 .0054 -3 1 1
3.2502 3.2495 .0007 -1 3 2
3.1002 3.0984 .0018 0 -2 2
A= 11.391 DA= .001
B= 12.466 DB= .002
C= 8.804 DC= .006
GAMMA= 85.09 DGAMMA= .03
BETA =100.29 DBETA = .07
ALPHA= 76.798 DALPHA= .009
V= 1187
17. 28-0484
Fe2F5*2H2O
Triklin
Dexp Dcal d(D) h k l
5.6504 5.6743 -.0239 -1 0 1
4.9704 4.9683 .0021 -1 1 0
3.7803 3.7830 -.0027 1 -1 3
3.6603 3.6636 -.0033 -1 -1 2
3.3202 3.3228 -.0026 1 1 2
3.2402 3.2391 .0011 0 1 3
3.1802 3.1749 .0053 -1 -1 3
3.1202 3.1214 -.0012 1 -1 4
3.0802 3.0752 .0050 0 2 0
2.8382 2.8372 .0010 -2 0 2
2.7202 2.7177 .0025 -1 -1 4
2.4192 2.4193 -.0001 -1 -2 3
A= 6.682 DA= .002
B= 6.474 DB= .002
C= 13.67 DC= .03
GAMMA=102.378 DGAMMA= .001
BETA = 82.91 DBETA = .09
ALPHA=104.59 DALPHA= .01
V= 557.6
18. 28-0484
Fe2F5*2H2O
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
5.6504 5.6471 .0033 1 0 1
4.9704 4.9762 -.0058 2 0 0
3.7803 3.7826 -.0023 2 1 1
3.6603 3.6712 -.0110 0 3 0
3.3202 3.3175 .0028 3 0 0
3.2402 3.2420 -.0018 1 0 2
3.1802 3.1765 .0037 3 1 0
3.1202 3.1100 .0102 1 1 2
3.0802 3.0780 .0022 1 3 1
2.8382 2.8417 -.0035 3 2 0
2.7202 2.7132 .0070 2 3 1
2.4192 2.4269 -.0078 4 1 0
a= 9.952 b=11.013 c= 6.8580
da= .002 db= .004 dc= .0005
V= 751.7
19. 28-0485
Fe{H2AsO4}3*5H2O
Triklin
Dexp Dcal d(D) h k l
12.1003 12.1464 -.0461 0 0 1
9.9509 9.9802 -.0293 1 0 0
8.3503 8.3358 .0144 0 1 1
7.6904 7.6745 .0159 0 -1 1
7.1708 7.1652 .0056 -1 1 0
6.0703 6.0732 -.0029 0 0 2
5.0103 5.0114 -.0011 0 2 1
4.9603 4.9652 -.0050 -2 0 1
4.7204 4.7144 .0059 0 -2 1
4.6203 4.6260 -.0057 -1 2 0
4.5804 4.5771 .0033 -1 2 1
4.5004 4.5031 -.0027 1 1 2
4.4703 4.4664 .0039 -2 1 0
A= 10.173 DA= .008
B= 10.63 DB= .01
C= 12.419 DC= .004
GAMMA= 89.303 DGAMMA= .001
BETA =101.05 DBETA = .03
ALPHA= 85.46 DALPHA= .03
V= 1313.8
20. 28-0486
FeH2P3O10*1.5H2O
Triklin
Dexp Dcal d(D) h k l
9.8503 9.8349 .0154 0 0 1
8.8705 8.8619 .0086 0 1 0
7.9708 7.9617 .0091 0 1 1
5.7403 5.7384 .0019 0 -1 1
5.0303 5.0318 -.0015 0 1 2
4.9002 4.8940 .0062 -1 2 1
4.6303 4.6284 .0019 0 2 1
4.4902 4.4932 -.0029 -1 -1 1
4.3902 4.3956 -.0054 -1 0 2
4.2704 4.2763 -.0059 1 0 2
3.8203 3.8158 .0045 0 -1 2
3.6303 3.6306 -.0003 0 -2 1
A= 9.8283 DA= .0003
B= 10.00161 DB= .00001
C= 10.49648 DC= .00007
GAMMA=110.853 DGAMMA= .001
BETA = 98.797 DBETA = .001
ALPHA= 69.63843 DALPHA= .00004
V=904.8
21. 28-0487
NH4Sm{SO3}2*2H2O
Triklin
Dexp Dcal d(D) h k l
9.6602 9.6828 -.0226 0 0 1
8.6104 8.6039 .0065 1 0 0
6.2204 6.2209 -.0005 0 -2 1
6.1103 6.1085 .0018 1 0 1
6.0105 6.0207 -.0102 -1 1 1
4.8403 4.8414 -.0011 0 0 2
4.5902 4.5923 -.0020 -2 1 0
4.4902 4.4909 -.0007 1 -1 2
3.8403 3.8386 .0017 0 -3 2
3.7433 3.7350 .0083 -2 2 1
3.5543 3.5534 .0009 1 2 1
3.4393 3.4390 .0003 1 -4 1
A= 9.1857 DA= .0005
B= 13.77 DB= .002
C= 10.340 DC= .001
GAMMA=109.56 DGAMMA= .02
BETA = 89.14 DBETA = .01
ALPHA=109.60 DALPHA= .03
V= 1154.0
22. 28-0488
FeMoO4
Rombik
Groupa 32,55
Dexp. Dcal. d(D) h k l
3.7903 3.8031 -.0128 2 2 0
3.3703 3.3632 .0071 3 1 0
2.7802 2.7801 .0001 0 2 1
2.6502 2.6514 -.0012 4 0 0
2.3302 2.3299 .0003 3 1 1
2.0201 2.0186 .0015 2 5 0
1.9401 1.9401 .0000 2 4 1
1.7501 1.7502 -.0000 5 1 1
1.7201 1.7207 -.0006 2 6 0
1.5801 1.5801 -.0000 1 1 2
a=10.6056 b=10.915 c= 3.23072
da= .0009 db= .002 dc= .00005
V= 374.0
23. 28-0489
Fe3Nd4{CN}18
Triklin
Dexp Dcal d(D) h k l
5.7704 5.7678 .0025 1 0 0
5.1603 5.1607 -.0003 -1 1 0
4.6304 4.6183 .0121 0 1 1
4.1903 4.1833 .0070 1 0 1
3.7403 3.7478 -.0075 -1 1 1
3.6403 3.6415 -.0012 -1 2 0
3.2402 3.2425 -.0023 0 2 1
3.0702 3.0685 .0016 1 2 0
2.8772 2.8839 -.0067 2 0 0
2.6232 2.6228 .0004 2 0 1
2.5342 2.5349 -.0008 -2 1 1
2.3411 2.3400 .0011 -1 3 1
A= 5.8698 DA= .0002
B= 8.270 DB= .003
C= 5.89 DC= .01
GAMMA=100.53 DGAMMA= .02
BETA = 87.4128 DBETA = .0006
ALPHA= 94.06 DALPHA= .08
V= 280.1
24. 28-0492
Fe{PO3}3
Triklin
Dexp Dcal d(D) h k l
7.7004 7.6868 .0136 1 0 0
6.6006 6.6024 -.0018 -1 1 0
5.8103 5.8155 -.0053 1 0 1
4.7504 4.7526 -.0022 -1 1 1
4.6303 4.6284 .0019 -1 2 0
4.0802 4.0800 .0002 -1 2 1
3.9003 3.8972 .0031 -1 -1 1
3.2602 3.2609 -.0007 1 3 1
3.0802 3.0819 -.0018 -2 0 1
3.0502 3.0497 .0005 -1 1 2
2.9072 2.9078 -.0005 2 0 2
2.6632 2.6635 -.0002 -1 3 2
2.3141 2.3142 -.0001 -2 4 0
2.2321 2.2321 .0000 -3 2 1
2.0772 2.0770 .0002 2 3 3
A= 7.893 DA= .003
B= 11.1216 DB= .0001
C= 7.3646 DC= .0008
GAMMA= 93.195 DGAMMA= .003
BETA = 78.663 DBETA = .005
ALPHA= 74.090 DALPHA= .004
V= 605.5
25. 28-0494
Sr2Fe{CN}6
Triklin
Dexp Dcal d(D) h k l
7.1804 7.1816 -.0011 -1 1 0
5.2805 5.2622 .0183 1 1 0
5.0904 5.0838 .0066 0 0 1
4.3904 4.3878 .0026 -1 1 1
4.2803 4.2745 .0058 0 2 0
3.7403 3.7414 -.0011 -1 -1 1
3.4302 3.4208 .0094 -2 0 1
3.1203 3.1186 .0017 2 -1 1
2.9402 2.9461 -.0059 -3 1 0
2.8502 2.8497 .0005 0 3 0
2.7802 2.7816 -.0014 -2 3 0
2.6902 2.6894 .0008 -3 1 1
A= 8.9024 DA= .0003
B= 8.984 DB= .001
C= 5.1209 DC= .0006
GAMMA=107.84 DGAMMA= .02
BETA = 96.694 DBETA = .001
ALPHA= 86.33 DALPHA= .03
V=387.0
26. 28-0495
Fe2{SO4}3*9H2O
Triklin
Dexp Dcal d(D) h k l
7.5004 7.4982 .0022 1 0 0
6.6007 6.5989 .0018 1 1 0
4.6803 4.6810 -.0007 1 0 1
3.8903 3.8879 .0024 -2 -1 1
3.5403 3.5396 .0007 0 2 2
3.4303 3.4260 .0043 -2 1 1
3.2403 3.2388 .0014 0 -2 1
2.9902 2.9912 -.0010 2 0 1
2.7702 2.7713 -.0011 -2 0 3
2.6802 2.6807 -.0005 -2 2 2
2.6202 2.6206 -.0004 3 1 0
2.3502 2.3500 .0002 0 -1 3
A= 8.3030 DA= .0005
B= 8.8412 DB= .0004
C= 9.1336 DC= .0009
GAMMA= 78.74 DGAMMA= .01
BETA =108.76 DBETA = .01
ALPHA= 75.54 DALPHA= .01
V= 586.3
27. 28-0497
Fe4{SO4}5{OH}2*18H2O
Triklin
Dexp Dcal d(D) h k l
9.0002 9.0046 -.0043 1 0 0
6.8206 6.8233 -.0027 0 1 0
6.1205 6.1265 -.0060 -1 0 1
6.0305 5.9836 .0469 1 1 0
5.4904 5.4908 -.0003 -1 -1 1
4.7005 4.7034 -.0029 0 -1 2
4.3903 4.3805 .0099 2 0 1
4.0202 4.0198 .0005 -1 0 2
3.5403 3.5299 .0104 1 1 2
3.1002 3.1055 -.0053 2 1 2
2.9502 2.9510 -.0008 3 1 0
2.8002 2.7977 .0024 -3 -1 1
A= 9.224 DA= .009
B= 7.2276 DB= .0004
C= 10.332 DC= .009
GAMMA= 82.08 DGAMMA= .05
BETA = 82.99 DBETA = .08
ALPHA=106.30 DALPHA= .04
V= 645.4
28. 28-0499
Fe0.08TiO2.24{SO3)1.3
Triklin
Dexp Dcal d(D) h k l
4.6965 4.6933 .0032 1 0 0
3.8972 3.8983 -.0011 1 1 0
3.4175 3.4166 .0009 0 0 1
3.3476 3.3484 -.0008 0 -1 1
3.2276 3.2267 .0009 -1 0 1
2.8779 2.8785 -.0006 1 2 0
2.5382 2.5388 -.0006 0 3 0
2.2883 2.2879 .0004 -1 3 0
2.2284 2.2290 -.0006 1 -2 1
1.9945 1.9943 .0002 -2 -2 1
1.9226 1.9224 .0002 1 -3 1
1.6028 1.6029 -.0001 -3 0 1
A= 4.8901 DA= .0008
B= 7.74076 DB= .00004
C= 3.6121 DC= .0001
GAMMA= 90.403 DGAMMA= .001
BETA =106.00 DBETA = .01
ALPHA= 99.77 DALPHA= .03
V= 129.3
29. 28-0500
Fe0.11Ti0.43S0.51O2.57
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
4.7003 4.7147 -.0144 1 0 2
3.9003 3.8957 .0046 2 0 2
3.4202 3.4190 .0013 0 0 3
3.3403 3.3460 -.0057 0 1 0
3.2302 3.2226 .0076 1 1 0
2.8802 2.8750 .0052 4 0 1
2.5402 2.5383 .0019 2 1 2
2.2902 2.2939 -.0037 3 1 2
2.2302 2.2316 -.0014 4 1 0
1.9962 1.9967 -.0006 6 0 0
1.9241 1.9271 -.0030 2 1 4
1.6931 1.6926 .0005 5 1 3
a=11.980 b= 3.3459 c=10.257
da= .002 db= .0004 dc= .008
V= 411.1
Triklin
Dexp Dcal d(D) h k l
4.7003 4.6976 .0027 0 1 1
3.9003 3.9069 -.0066 -1 1 0
3.4202 3.4218 -.0016 0 -1 1
3.3403 3.3387 .0016 0 0 2
3.2302 3.2272 .0030 -1 1 2
2.8802 2.8720 .0082 -1 0 2
2.5402 2.5436 -.0034 -1 -1 1
2.2902 2.2918 -.0016 1 1 2
2.2302 2.2317 -.0016 -2 1 2
1.9962 1.9960 .0001 2 -1 1
1.9241 1.9230 .0011 1 2 1
1.6931 1.6935 -.0004 0 3 1
A= 4.8319 DA= .0008
B= 5.489 DB= .005
C= 7.32 DC= .01
GAMMA=111.73 DGAMMA= .01
BETA =105.37 DBETA = .02
ALPHA= 67.21 DALPHA= .06
V= 164.5
30. 28-0501
Yb4Fe3{CN}18*10H2O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
6.1803 6.1692 .0110 1 1 0
5.8103 5.7988 .0114 0 2 0
5.7204 5.6941 .0264 1 1 1
4.6503 4.6459 .0043 0 1 2
4.6004 4.5920 .0084 1 0 2
3.6603 3.6570 .0033 2 0 1
3.6003 3.6000 .0003 1 2 2
3.3703 3.3804 -.0101 0 0 3
3.1502 3.1524 -.0022 -1 3 1
2.5602 2.5593 .0009 -1 4 1
2.4702 2.4707 -.0005 3 0 1
2.3102 2.3125 -.0023 -1 4 2
a= 7.421 b= 11.598 c= 10.330 beta=79.01
da= .009 db=.009 dc=.001 dbet= .09
V= 873
Triklin
Dexp Dcal d(D) h k l
6.1803 6.1863 -.0060 1 0 0
5.8103 5.8162 -.0059 0 1 1
5.7204 5.7240 -.0036 0 -1 1
4.6503 4.6544 -.0041 -1 2 0
4.6004 4.5994 .0010 1 -2 1
3.6603 3.6667 -.0064 -1 1 1
3.6003 3.5946 .0057 -1 3 0
3.3703 3.3698 .0005 0 -3 1
3.1502 3.1483 .0019 1 3 1
2.5602 2.5595 .0007 0 3 2
2.4702 2.4701 .0001 2 -4 1
2.3102 2.3106 -.0004 1 -2 3
A= 7.084 DA= .001
B= 12.0515 DB= .0007
C= 7.469 DC= .004
GAMMA= 99.317 DGAMMA= .008
BETA = 62.08 DBETA = .01
ALPHA= 93.409 DALPHA= .007
V= 555.9
31. 28-0763
K2Fe5F17
Triklin
Dexp Dcal d(D) h k l
14.2012 14.2064 -.0052 1 0 0
12.7604 12.7623 -.0019 -1 0 1
6.3704 6.3667 .0036 0 1 0
4.8203 4.8200 .0002 0 -1 2
3.7502 3.7504 -.0001 2 1 2
3.6903 3.6920 -.0018 -4 0 2
3.3403 3.3390 .0013 -3 -1 3
3.2303 3.2268 .0035 2 -1 3
3.1903 3.1906 -.0003 -4 0 4
2.6292 2.6284 .0007 4 1 2
2.4172 2.4175 -.0003 -2 0 7
2.3341 2.3346 -.0004 4 0 4
A= 15.0062 DA= .0001
B= 6.423 DB= .002
C= 17.022 DC= .003
GAMMA= 96.25 DGAMMA= .01
BETA =108.25 DBETA = .01
ALPHA= 83.91 DALPHA= .03
V= 1544.5
32. 28-0764
KFeNd{CN}6
Triklin
Dexp Dcal d(D) h k l
5.7704 5.7769 -.0065 1 0 0
5.2403 5.2378 .0025 0 1 0
4.6704 4.6644 .0060 -1 0 1
3.6502 3.6397 .0105 -2 -1 1
3.1902 3.1904 -.0002 2 1 0
2.8912 2.8884 .0028 2 0 0
2.8092 2.8082 .0010 -1 1 1
2.6202 2.6189 .0013 0 2 0
2.5232 2.5191 .0041 0 0 2
2.3601 2.3585 .0016 -3 -2 1
2.2511 2.2528 -.0016 -3 -2 2
2.1211 2.1207 .0004 -2 1 1
A= 7.3683 DA= .0001
B= 6.415 DB= .001
C= 5.89542 DC= .00002
GAMMA= 56.50 DGAMMA= .01
BETA =119.233 DBETA = .005
ALPHA=114.65 DALPHA= .01
V=198.6
33. 28-0766
KYbFe{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
5.8603 5.8517 .0086 0 1 1
5.7204 5.7168 .0036 0 -1 1
4.6404 4.6418 -.0014 1 0 1
4.6004 4.6003 .0001 1 -1 1
4.1003 4.1029 -.0026 0 0 2
3.6902 3.6847 .0055 0 2 1
3.6103 3.6071 .0032 1 0 2
2.5802 2.5751 .0051 0 -1 3
2.4702 2.4687 .0015 1 2 2
2.3402 2.3397 .0005 2 0 0
2.2402 2.2415 -.0013 0 -3 2
2.1002 2.0996 .0006 1 0 4
A= 5.0776 DA= .0009
B= 8.5168 DB= .0003
C= 8.5389 DC= .0002
GAMMA=106.80 DGAMMA= .04
BETA = 74.00175 DBETA = .00006
ALPHA= 93.34 DALPHA= .02
V=340.3
34. 28-0794
KPr{Fe{Cn}6}*5H2O
Triklin
Dexp Dcal d(D) h k l
5.4506 5.4501 .0005 -1 1 0
3.7503 3.7516 -.0013 0 1 1
3.2203 3.2242 -.0039 0 -1 1
2.9002 2.8961 .0041 -2 1 1
2.6202 2.6156 .0046 -2 0 1
2.5202 2.5217 -.0015 2 -1 1
2.3702 2.3715 -.0013 2 1 0
2.3202 2.3207 -.0005 1 -2 1
2.1601 2.1570 .0031 0 1 2
2.1402 2.1398 .0003 2 -2 1
2.0402 2.0406 -.0004 1 0 2
1.9431 1.9418 .0013 0 -1 2
A= 6.960 DA= .002
B= 6.2874 DB= .0005
C= 4.4647 DC= .0007
GAMMA=114.85 DGAMMA= .03
BETA = 96.869 DBETA = .007
ALPHA= 79.0544 DALPHA= .0003
V=174.0
35. 28-0798
KSmFe{CN}6*5H2O
Triklin
Dexp Dcal d(D) h k l
5.7903 5.7989 -.0087 1 1 0
5.0605 5.0487 .0118 -1 1 1
4.6704 4.6722 -.0019 -1 -1 1
4.3502 4.3505 -.0003 1 1 1
3.7203 3.7206 -.0003 1 2 1
3.6603 3.6593 .0010 -1 0 2
3.4002 3.4008 -.0005 -1 -2 1
3.1903 3.1913 -.0011 -2 -1 1
2.7602 2.7604 -.0002 1 0 2
2.6002 2.6020 -.0018 -2 2 1
2.5102 2.5099 .0003 -1 3 0
2.3202 2.3200 .0001 1 4 1
A= 6.7746 DA= .0005
B= 9.5889 DB= .0001
C= 7.8981 DC= .0005
GAMMA= 83.558 DGAMMA= .006
BETA =105.830 DBETA = .009
ALPHA= 72.872 DALPHA= .004
V=461.0
36. 28-0855
K2Zn3{Fe{CN}6}2
Triklin
Dexp Dcal d(D) h k l
6.4903 6.4789 .0114 0 1 1
6.3306 6.3236 .0069 -1 0 1
5.4506 5.4540 -.0035 0 -1 1
4.5203 4.5190 .0014 0 -2 0
4.0902 4.0900 .0003 -2 1 0
3.7903 3.7929 -.0026 -2 1 1
3.6902 3.6881 .0021 -1 0 2
3.6303 3.6304 -.0000 2 2 1
3.4302 3.4282 .0020 3 0 0
3.1402 3.1412 -.0010 -3 -1 1
3.1002 3.0992 .0010 1 -1 2
2.9902 2.9893 .0010 -3 1 0
A= 10.558 DA= .007
B= 9.412 DB= .003
C= 7.909 DC= .002
GAMMA= 77.12 DGAMMA= .08
BETA = 89.89 DBETA = .04
ALPHA= 80.31 DALPHA= .04
V= 754.6
37. 28-0859
Pr{Fe{CN}6}3*10H2O
Triklin
Dexp Dcal d(D) h k l
5.8703 5.8897 -.0194 1 1 0
4.7204 4.7414 -.0210 0 0 1
4.2103 4.2076 .0028 1 0 1
3.7903 3.7937 -.0034 2 0 0
3.6703 3.6721 -.0019 0 -1 1
3.5203 3.5139 .0064 1 2 1
3.2802 3.2770 .0032 -1 -1 1
3.2203 3.2196 .0006 2 1 1
2.8802 2.8846 -.0045 2 2 1
2.7402 2.7415 -.0014 -2 1 1
2.6102 2.6098 .0004 -2 -1 1
2.5302 2.5291 .0010 3 0 0
A= 7.7095 DA= .0008
B= 8.528 DB= .009
C= 4.9805 DC= .0003
GAMMA= 81.41 DGAMMA= .02
BETA = 82.25 DBETA = .02
ALPHA= 73.03 DALPHA= .03
V=308.9
38. 28-0894
RbErFe{CN}6*5H2O
Triklin
Dexp Dcal d(D) h k l
5.6204 5.6235 -.0031 1 0 1
4.5803 4.5802 .0002 -1 0 1
3.6203 3.6209 -.0006 2 1 1
3.5903 3.5919 -.0017 -2 -1 1
3.1002 3.1001 .0001 -2 0 1
2.7202 2.7209 -.0007 3 1 1
2.5602 2.5620 -.0018 -3 -1 1
2.4102 2.4123 -.0021 -1 2 1
2.2502 2.2499 .0002 -1 -2 3
2.2201 2.2203 -.0002 -3 1 0
2.1101 2.1089 .0013 0 -4 1
2.0902 2.0912 -.0010 -3 -4 1
A= 8.703 DA= .001
B= 9.168 DB= .001
C= 7.09608 DC= .00009
GAMMA= 67.651 DGAMMA= .007
BETA = 87.25 DBETA = .01
ALPHA=110.14 DALPHA= .02
V=481.1
39. 28-0899
RbGdFe{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
5.6905 5.6967 -.0062 0 1 1
5.1404 5.1403 .0001 -1 1 0
4.6103 4.6079 .0023 0 -1 1
3.7003 3.6973 .0031 1 -1 1
3.6303 3.6303 -.0000 -1 2 0
3.4402 3.4426 -.0024 -1 2 1
3.1502 3.1528 -.0026 0 1 2
2.7502 2.7518 -.0016 1 0 2
2.5822 2.5852 -.0031 -2 -1 1
2.4962 2.4968 -.0006 1 -1 2
2.2802 2.2790 .0012 -1 3 2
2.2462 2.2444 .0018 -2 -2 1
A= 6.2335 DA= .0002
B= 9.005 DB= .004
C= 6.366 DC= .005
GAMMA= 91.76 DGAMMA= .02
BETA = 91.68 DBETA = .02
ALPHA= 77.16 DALPHA= .02
V= 348.1
40. 28-0918
Rb3FeF6
Triklin
Dexp Dcal d(D) h k l
3.1502 3.1532 -.0030 0 1 1
2.5702 2.5699 .0002 0 -1 1
2.3162 2.3141 .0021 -1 1 1
2.2242 2.2200 .0041 2 0 0
2.1322 2.1324 -.0003 1 -1 1
1.8901 1.8888 .0013 -1 1 2
1.8251 1.8268 -.0016 2 1 2
1.7031 1.7016 .0016 -2 1 0
1.5771 1.5766 .0005 0 2 2
1.5071 1.5073 -.0002 2 1 3
1.4791 1.4800 -.0009 3 0 0
1.4201 1.4200 .0001 0 -1 3
A= 4.583 DA= .006
B= 3.525 DB= .001
C= 5.416 DC= .001
GAMMA= 76.87 DGAMMA= .02
BETA = 81.21 DBETA = .02
ALPHA= 75.62 DALPHA= .01
V= 82.1
41. 28-0919
Rb2FeF5*H2O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
4.9803 4.9805 -.0002 -2 0 1
4.4003 4.4064 -.0061 2 1 0
3.8103 3.8134 -.0031 1 2 1
3.3203 3.3212 -.0010 0 0 3
3.1602 3.1619 -.0016 -2 0 3
3.0502 3.0498 .0004 0 3 1
2.8522 2.8525 -.0003 1 3 1
2.6922 2.6908 .0014 2 3 0
2.5792 2.5780 .0012 -1 0 4
2.4721 2.4760 -.0038 3 0 2
2.1572 2.1582 -.0011 3 3 1
2.0712 2.0732 -.0020 -3 3 3
a= 10.26 b= 9.611 c= 10.312 beta= 104.93
da=.01 db=.007 dc=.003 dbet=.02
V= 982.8
Triklin
Dexp Dcal d(D) h k l
4.9803 4.9840 -.0037 -1 0 1
4.4003 4.3983 .0020 1 0 1
3.8103 3.8079 .0024 -1 0 2
3.3203 3.3200 .0002 -1 2 1
3.1602 3.1517 .0086 1 2 0
3.0502 3.0502 .0001 1 2 1
2.8522 2.8523 -.0001 1 -2 1
2.6922 2.6919 .0003 2 0 0
2.5792 2.5792 -.0000 -1 2 3
2.4721 2.4724 -.0003 -1 3 1
2.1572 2.1570 .0002 2 1 2
2.0712 2.0708 .0003 -1 -1 4
A= 5.4493 DA= .0002
B= 8.1005 DB= .0004
C= 9.6246 DC= .0001
GAMMA= 93.317 DGAMMA= .008
BETA = 98.754 DBETA = .007
ALPHA= 78.557 DALPHA= .002
V= 411.39
42. 28-0920
RbFeNd{CN}6
Triklin
Dexp Dcal d(D) h k l
5.6305 5.6354 -.0049 0 1 1
4.6103 4.6064 .0039 0 -1 1
4.0703 4.0722 -.0019 -1 1 0
3.6803 3.6810 -.0007 1 -1 1
3.6502 3.6500 .0002 1 2 0
3.1602 3.1578 .0024 2 0 0
2.8492 2.8514 -.0022 2 0 2
2.7822 2.7830 -.0008 -1 0 2
2.6112 2.6115 -.0003 -2 0 1
2.5132 2.5130 .0002 2 1 3
2.3432 2.3444 -.0013 -2 -2 1
2.2031 2.2007 .0024 0 2 3
A= 7.348 DA= .003
B= 7.970 DB= .002
C= 8.057 DC= .006
GAMMA= 64.65 DGAMMA= .01
BETA = 65.96 DBETA = .01
ALPHA= 70.21 DALPHA= .01
V= 381.6
43. 28-0921
RbFeNd{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
5.6905 5.6895 .0010 1 0 0
4.6503 4.6523 -.0020 -1 1 1
4.1003 4.1001 .0003 1 1 0
3.7203 3.7221 -.0018 -1 -1 1
3.7102 3.7161 -.0059 -1 1 2
3.1602 3.1543 .0060 0 1 3
2.8982 2.8986 -.0004 -1 1 3
2.7692 2.7689 .0002 1 2 1
2.6232 2.6232 -.0000 1 -1 3
2.5292 2.5295 -.0003 -1 2 3
2.3642 2.3647 -.0005 -1 -2 2
2.2832 2.2827 .0005 0 -3 1
A= 5.81093 DA= .00001
B= 7.45542 DB= .00000
C= 9.99222 DC= .00001
GAMMA=101.64580 DGAMMA= .00004
BETA = 93.00378 DBETA = .00000
ALPHA= 82.46237 DALPHA= .00005
V=420.2
44. 28-0922
RbYbFe{CN}6*5H2O
Triklin
Dexp Dcal d(D) h k l
5.5704 5.5630 .0073 -1 0 1
5.0403 5.0377 .0025 0 1 1
4.5803 4.5785 .0019 0 -1 1
3.6002 3.5952 .0050 1 1 1
3.1203 3.1203 -.0000 -1 1 3
2.5702 2.5689 .0013 -1 1 4
2.4702 2.4701 .0000 2 1 1
2.3301 2.3298 .0003 -1 2 3
2.2602 2.2609 -.0008 1 2 1
2.2402 2.2405 -.0003 2 -2 1
2.1101 2.1109 -.0008 3 0 1
2.0902 2.0902 .0000 -1 2 4
A= 6.6113 DA= .0006
B= 5.4677 DB= .0005
C= 11.648 DC= .003
GAMMA=103.8768 DGAMMA= .0007
BETA = 90.622 DBETA = .001
ALPHA= 82.82 DALPHA= .01
V= 405.5
45. 28-0940
RbPr{Fe{CN}6}
Triklin
Dexp Dcal d(D) h k l
5.6504 5.6428 .0076 1 0 0
4.6004 4.6038 -.0034 0 1 1
4.2103 4.2040 .0063 0 -1 1
3.6703 3.6744 -.0041 1 0 2
3.6303 3.6303 .0000 1 1 1
3.4903 3.4884 .0020 0 1 2
3.1402 3.1469 -.0067 0 -1 2
2.8702 2.8698 .0004 -1 1 2
2.5902 2.5896 .0006 -2 0 1
2.5102 2.5124 -.0022 0 2 1
2.3502 2.3495 .0007 -1 2 0
2.2502 2.2512 -.0010 -2 -1 1
A= 5.6895 DA= .0002
B= 5.11555 DB= .00003
C= 8.8075 DC= .0002
GAMMA= 91.2673 DGAMMA= .0006
BETA = 82.940 DBETA = .003
ALPHA= 84.2445 DALPHA= .00067
V=252.9
46. 28-0941
RbPr{Fe{CN}6*5H2O
Triklin
Dexp Dcal d(D) h k l
5.8703 5.8688 .0016 0 0 1
4.7504 4.7493 .0011 -1 1 1
4.2103 4.2113 -.0010 -2 0 1
3.7703 3.7674 .0030 -1 -1 1
3.7203 3.7166 .0037 -2 1 0
3.5003 3.5007 -.0004 1 2 1
3.2203 3.2215 -.0012 -3 0 1
2.9202 2.9212 -.0010 -1 0 2
2.6302 2.6272 .0030 -1 2 2
2.5502 2.5493 .0009 -4 0 1
2.3802 2.3826 -.0024 -3 1 2
2.2902 2.2919 -.0017 3 2 2
A= 11.0126 DA= .0006
B= 7.2359 DB= .0002
C= 6.357 DC= .001
GAMMA= 77.69 DGAMMA= .01
BETA = 91.81 DBETA = .01
ALPHA= 68.446 DALPHA= .006
V=456.7
47. 28-0942
RbSmFe{CN}6*4H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.6905 5.6774 .0131 1 1 0
5.0703 5.0782 -.0079 1 1 1
4.5903 4.5668 .0235 2 0 0
4.2503 4.2597 -.0094 2 0 1
3.6803 3.6724 .0079 2 1 1
3.6303 3.6238 .0065 0 2 0
3.4203 3.4238 -.0035 1 0 3
3.2602 3.2594 .0008 0 1 3
3.1203 3.1201 .0002 -2 1 2
2.7602 2.7602 .0000 2 2 1
2.5702 2.5714 -.0012 0 2 3
2.4702 2.4705 -.0004 -3 1 2
a= 9.137 b= 7.248 c=10.952 beta= 88.3
da=.008 db=.003 dc= .005 dbeta=.1
V= 725
Triklin
Dexp Dcal d(D) h k l
5.6905 5.6874 .0030 1 1 0
5.0703 5.0706 -.0003 0 -1 1
4.5903 4.5882 .0022 -1 1 1
4.2503 4.2525 -.0021 1 -1 1
3.6803 3.6821 -.0018 -2 1 1
3.6303 3.6258 .0045 0 2 0
3.4203 3.4199 .0003 -1 2 0
3.2602 3.2641 -.0039 2 -1 1
3.1203 3.1203 -.0001 0 2 1
2.7602 2.7585 .0017 -2 2 1
2.5702 2.5709 -.0007 -3 0 2
2.4702 2.4693 .0009 3 1 1
A= 9.6924 DA= .0003
B= 7.2637 DB= .0001
C= 6.8644 DC= .0001
GAMMA= 91.033 DGAMMA= .003
BETA =101.269 DBETA = .005
ALPHA= 92.8941 DALPHA= .0002
V=473.1
48. 28-1018
Ag3FeF6*6H2O
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
4.1604 4.1575 .0028 2 1 0
3.0102 3.0072 .0030 2 1 2
2.8772 2.8846 -.0073 3 1 1
2.6582 2.6613 -.0031 3 0 2
2.3832 2.3850 -.0018 4 1 0
2.3022 2.3003 .0019 4 1 1
2.1782 2.1775 .0007 0 0 4
2.0771 2.0757 .0014 2 2 3
2.0771 2.0788 -.0016 4 2 0
2.0171 2.0173 -.0001 5 0 0
1.9672 1.9655 .0017 2 3 2
1.8961 1.8985 -.0023 5 1 1
a=10.086 b= 7.345 c= 8.7100
da= .003 db= .001 dc= .0001
V= 645.3
Triklin
Dexp Dcal d(D) h k l
4.1604 4.1641 -.0037 2 1 0
3.0102 3.0083 .0019 -2 1 0
2.8772 2.8769 .0003 -1 2 0
2.6582 2.6569 .0013 1 1 2
2.3832 2.3828 .0004 0 3 0
2.3022 2.3018 .0004 -2 1 2
2.1782 2.1794 -.0013 2 2 2
2.0771 2.0767 .0004 -1 3 0
2.0171 2.0181 -.0009 -3 -2 2
1.9672 1.9685 -.0013 4 0 0
1.8961 1.8952 .0009 3 2 2
1.8371 1.8373 -.0002 -4 -3 1
A= 8.5418 DA= .0002
B= 7.7222 DB= .0004
C= 5.9174 DC= .0003
GAMMA= 68.9629 DGAMMA= .0008
BETA = 96.811 DBETA = .005
ALPHA= 85.667 DALPHA= .006
V=359
49. 28-1102
Na4FeO3
Triklin
Dexp Dcal d(D) h k l
5.0204 5.0125 .0079 -1 0 1
4.6404 4.6380 .0024 0 -1 1
3.8303 3.8313 -.0010 1 1 2
3.7203 3.7202 .0001 1 2 1
3.3502 3.3514 -.0012 2 2 0
3.0802 3.0803 -.0001 2 0 2
2.8802 2.8812 -.0010 -1 -1 2
2.7402 2.7399 .0003 -2 -2 1
2.6202 2.6224 -.0022 -1 2 1
2.5402 2.5385 .0016 2 1 3
2.4302 2.4270 .0032 2 3 0
2.3301 2.3274 .0028 -1 -2 2
A= 9.355 DA= .005
B= 7.656 DB= .002
C= 7.909 DC= .003
GAMMA= 62.83 DGAMMA= .03
BETA = 72.61 DBETA = .03
ALPHA= 74.24 DALPHA= .04
V=474.9
50. 28-1104
Na2FexFe1-x{SO4}2{OH}x
Triklin
Dexp Dcal d(D) h k l
5.8208 5.8393 -.0185 0 1 1
4.7605 4.7448 .0156 0 -1 1
4.0204 4.0162 .0042 2 0 1
3.5804 3.5908 -.0104 -2 1 0
3.4203 3.4209 -.0005 2 2 1
3.2604 3.2550 .0054 0 1 2
3.2103 3.2141 -.0038 0 0 2
3.1003 3.1004 -.0001 -2 0 1
2.9704 2.9672 .0031 2 0 2
2.9204 2.9197 .0007 0 2 2
2.8303 2.8284 .0020 3 0 1
2.5803 2.5806 -.0004 1 3 2
A= 8.7335 DA= .0005
B= 9.252 DB= .002
C= 6.92789 DC= .00004
GAMMA= 79.49 DGAMMA= .01
BETA = 71.843 DBETA = .006
ALPHA= 75.05 DALPHA= .02
V= 510.7
51. 28-1309
Tl3FeF6
Monokl
Grupa 4,11
Dexp Dcal d(D) h k l
3.1602 3.1595 .0008 2 1 0
2.6902 2.6884 .0018 2 2 1
2.5982 2.5984 -.0002 0 2 2
2.3432 2.3437 -.0006 3 1 1
2.2311 2.2303 .0008 3 1 2
2.0071 2.0083 -.0011 3 2 2
1.8281 1.8279 .0002 4 0 1
1.7321 1.7322 -.0001 0 3 3
1.5861 1.5860 .0001 -3 3 1
1.4181 1.4179 .0002 3 4 3
1.3721 1.3721 .0000 2 2 5
1.3441 1.3442 -.0001 4 4 2
a= 7.3556 b= 7.996 c= 7.312 beta= 69.246
da=.0003 db=.001 dc=.001 dbet=.003
V= 402.2
52. 28-1310
Tl2FeF5*H2O
Triklin
Dexp Dcal d(D) h k l
5.1003 5.0911 .0092 0 1 1
3.9802 3.9795 .0007 1 1 0
3.6503 3.6474 .0029 0 -1 1
3.1203 3.1181 .0022 2 1 1
2.8902 2.8922 -.0020 -2 1 1
2.4872 2.4857 .0015 -3 1 0
2.2222 2.2213 .0009 -2 -1 1
1.9821 1.9825 -.0004 2 -1 3
1.8981 1.8978 .0003 -1 2 3
1.8551 1.8554 -.0003 4 0 0
1.7591 1.7591 -.0000 -2 -1 2
1.6851 1.6847 .0004 -3 0 2
A= 8.097 DA= .004
B= 5.841 DB= .001
C= 7.315 DC= .001
GAMMA= 97.34 DGAMMA= .04
BETA = 70.59 DBETA = .01
ALPHA= 74.76 DALPHA= .01
V= 305.9
53. 28-1416
Tl2FeF5
Triklin
Dexp Dcal d(D) h k l
3.3203 3.3237 -.0035 0 -2 1
3.0802 3.0786 .0016 1 2 0
2.8902 2.8898 .0005 -1 0 1
2.4812 2.4811 .0001 -1 -3 1
2.3111 2.3121 -.0010 1 0 1
2.1492 2.1491 .0000 1 2 1
2.0042 2.0035 .0007 1 -3 1
1.9371 1.9398 -.0027 0 5 1
1.7871 1.7866 .0005 -1 1 2
1.7351 1.7358 -.0007 -1 5 1
1.6511 1.6509 .0002 1 5 1
1.5381 1.5382 -.0000 0 4 2
A= 3.5585 DA= .0001
B= 11.9721 DB= .0009
C= 3.9019 DC= .0004
GAMMA= 84.982 DGAMMA= .008
BETA =103.14 DBETA = .01
ALPHA= 95.89 DALPHA= .01
V=160.8
54. 28-1694
C9H15FeN3O9
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
7.5103 7.5156 -.0054 1 1 0
6.4206 6.4217 -.0011 1 0 1
6.1103 6.1171 -.0068 -1 0 1
5.6103 5.6047 .0056 1 1 1
4.6904 4.6774 .0130 0 2 1
4.1804 4.1862 -.0058 -1 2 1
4.0503 4.0504 -.0001 2 1 1
3.5703 3.5718 -.0015 1 3 0
3.3602 3.3585 .0017 -2 2 1
3.1703 3.1709 -.0007 1 2 2
a= 9.95 b= 11.48 c= 8.08 beta= 87.15
da=.04 db= .01 dc=.02 dbet= .07
V= 921.9
Triklin
Dexp Dcal d(D) h k l
7.5103 7.4995 .0108 1 0 0
6.4206 6.4215 -.0009 0 1 0
6.1103 6.1089 .0014 -1 0 1
5.6103 5.6081 .0022 0 -1 1
4.6904 4.6916 -.0012 1 1 0
4.1804 4.1807 -.0003 -1 0 2
4.0503 4.0498 .0005 1 1 1
3.5703 3.5702 .0000 -2 0 1
3.3602 3.3601 .0001 -2 1 0
3.1703 3.1704 -.0002 2 -1 1
A= 7.5355 DA= .0004
B= 6.4714 DB= .0009
C= 9.728 DC= .002
GAMMA= 94.388 DGAMMA= .004
BETA = 93.07 DBETA = .01
ALPHA= 95.37 DALPHA= .02
V= 470.05
55. 28-1695
C12H10FeN4S2
Triklin
Dexp Dcal d(D) h k l
7.3305 7.3079 .0227 0 1 1
5.2404 5.2490 -.0086 0 -1 1
5.1103 5.1124 -.0021 1 0 0
4.2504 4.2518 -.0014 1 0 1
3.9103 3.9141 -.0038 -1 1 0
3.6403 3.6539 -.0137 0 2 2
2.8402 2.8414 -.0011 0 2 3
2.7602 2.7599 .0003 -1 2 2
2.6402 2.6392 .0010 1 -1 2
2.4301 2.4306 -.0004 1 0 3
2.3802 2.3803 -.0001 -1 2 3
2.3602 2.3596 .0006 1 3 3
A= 5.317 DA= .004
B= 9.178 DB= .009
C= 9.148 DC= .008
GAMMA= 74.77 DGAMMA= .01
BETA = 89.71 DBETA = .03
ALPHA= 71.97 DALPHA= .03
V= 408.2
56. 28-1696
C12H30Cl2FeO17S3
Triklin
Dexp Dcal d(D) h k l
10.5005 10.5042 -.0037 1 0 0
9.4703 9.4738 -.0035 0 1 0
7.5402 7.5398 .0005 1 0 1
5.8503 5.8563 -.0060 1 1 0
5.2903 5.2907 -.0004 -1 2 0
5.1403 5.1514 -.0111 2 -2 1
5.0103 5.0098 .0005 2 0 1
4.7104 4.7136 -.0032 2 -2 0
4.3604 4.3568 .0036 2 -1 2
4.1403 4.1422 -.0019 -2 1 1
3.9203 3.9211 -.0008 -1 2 1
3.7203 3.7160 .0043 -3 2 0
A= 12.62723 DA= .00002
B= 11.38700 DB= .00001
C= 9.51477 DC= .00001
GAMMA=121.4209 DGAMMA= .0001
BETA = 68.30772 DBETA = .00002
ALPHA=111.68620 DALPHA= .00008
V=1057.6
57. 28-1697
C20H20N4*Fe{SCN}2
Triklin
Dexp Dcal d(D) h k l
8.1106 8.1196 -.0089 1 0 0
7.0507 7.0475 .0032 1 1 0
6.7006 6.6918 .0088 0 0 1
4.4103 4.4133 -.0030 1 0 1
4.3103 4.3143 -.0040 -2 -1 1
4.0902 4.0799 .0103 2 1 0
4.0002 4.0014 -.0012 0 -2 1
3.8803 3.8796 .0007 0 2 1
3.8203 3.8233 -.0029 -1 2 0
3.5603 3.5603 .0000 -1 2 1
2.9602 2.9604 -.0001 0 -3 1
2.8602 2.8624 -.0021 2 3 0
A= 9.0523 DA= .0002
B= 10.0728 DB= .0001
C= 7.2813 DC= .0004
GAMMA= 75.476 DGAMMA= .001
BETA =113.153 DBETA = .005
ALPHA= 97.333 DALPHA= .003
V=590.2