1. 32-0242
Cs2Fe2{PO4}2
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
7.7200 7.7210 -.0010 1 0 1
6.0400 6.0405 -.0005 0 1 0
5.4200 5.3856 .0344 1 0 2
5.3800 5.3856 -.0056 1 0 2
5.3500 5.3856 -.0356 1 0 2
4.8000 4.7949 .0051 2 0 0
4.0200 4.0199 .0001 1 1 2
3.1900 3.1966 -.0066 3 0 0
3.1100 3.1044 .0056 3 0 1
a= 9.5898 b= 6.0405 c=13.018
da= .0009 db= .0003 dc= .001
v= 754.1
2. 32-0922
RbFeO4
Triklin
Dexp Dcal d(D) h k l
4.8100 4.8114 -.0014 -2 0 1
4.6200 4.6186 .0014 0 -2 1
4.4900 4.4873 .0027 0 2 1
4.3900 4.3922 -.0022 0 0 2
4.2800 4.2842 -.0042 -1 2 1
3.9700 3.9680 .0020 1 2 1
3.7600 3.7601 -.0001 -2 2 0
3.6600 3.6618 -.0018 2 2 0
3.5500 3.5477 .0023 0 3 0
3.4500 3.4499 .0001 3 0 0
3.1900 3.1808 .0092 -1 3 1
3.1100 3.1100 .0000 2 0 2
A= 10.48970 DA= .00005
B= 10.65124 DB= .00005
C= 8.90487 DC= .00006
GAMMA= 91.24040 DGAMMA= .00006
BETA = 99.2588 DBETA = .0005
ALPHA= 91.6475 DALPHA= .0003
V=980.7
3. 32-0974
C6H18FeN11ORu
Geksagon
Groupa 146,148
Dexp. Dcal. d(D) h k l
7.1700 7.1953 -.0253 1 0 1
5.5300 5.5247 .0053 1 1 0
4.7300 4.7405 -.0105 1 0 2
3.6300 3.6382 -.0082 0 0 3
3.4500 3.4332 .0168 2 1 1
3.1900 3.1897 .0003 3 0 0
3.0000 3.0148 -.0148 2 1 2
2.7600 2.7623 -.0023 2 2 0
2.4000 2.3984 .0016 3 0 3
2.1800 2.1782 .0018 2 1 4
a= 11.05 c= 10.91
da=.02 dc=.03
v=1154
4. 32-0975
Ru{NH3}6Fe{CN}5CN
Geksagon
Groupa 146,148
Dexp. Dcal. d(D) h k l
7.1600 7.2076 -.0476 1 0 1
5.5300 5.5241 .0059 1 1 0
4.7600 4.7550 .0050 1 0 2
3.6000 3.6038 -.0038 2 0 2
3.4500 3.4342 .0158 2 1 1
3.1900 3.1894 .0006 3 0 0
3.0200 3.0183 .0017 2 1 2
2.7600 2.7621 -.0021 2 2 0
2.3900 2.3884 .0016 3 1 2
2.1900 2.1922 -.0022 4 0 2
a= 11.05 c= 10.96
da=.03 dc=.08
v=1158
5. 32-0976
{Ru{NH3}6}4{Fe{CN}6}3*10H2O
Triklin
Dexp Dcal d(D) h k l
7.1200 7.1206 -.0006 0 1 1
5.8600 5.8547 .0053 1 1 0
5.6400 5.6434 -.0034 -1 -1 1
5.2100 5.2229 -.0129 0 2 0
5.0000 5.0026 -.0026 1 0 1
4.9200 4.9155 .0045 -1 2 1
4.8200 4.8185 .0015 -1 1 2
4.6900 4.6884 .0016 0 2 1
4.5000 4.5117 -.0117 0 0 2
4.4100 4.4061 .0039 1 1 1
4.1500 4.1455 .0045 -1 -1 2
3.9300 3.9305 -.0005 -1 -2 1
A= 8.979 DA= .00396
B= 10.7597 DB= .0005
C= 10.0997 DC= .0001
GAMMA=103.09 DGAMMA= .01
BETA =116.321 DBETA = .002
ALPHA= 80.145 DALPHA= .003
V=849.7
6. 32-1103
alfa-NaFeTiO4
Triklin
Dexp Dcal d(D) h k l
7.1200 7.1158 .0042 1 0 0
4.8100 4.8079 .0021 -1 1 1
4.6300 4.6293 .0007 1 -1 1
3.5400 3.5411 -.0011 0 -1 2
3.4800 3.4796 .0004 2 -1 1
3.2350 3.2367 -.0017 -2 0 1
2.9620 2.9626 -.0006 -2 1 2
2.8220 2.8243 -.0023 0 0 4
2.6960 2.6949 .0011 0 1 4
2.6600 2.6599 .0001 0 2 1
2.5230 2.5229 .0001 -3 1 0
2.4320 2.4304 .0016 1 -1 4
A= 7.665 DA= .003
B= 5.652 DB= .001
C= 11.564 DC= .004
GAMMA=109.52 DGAMMA= .02
BETA = 83.126 DBETA = .004
ALPHA= 82.730 DALPHA= .005
V= 461.4
7. 32-1731
C20H30Fe*13.4FeOCl
Triklin
Dexp Dcal d(D) h k l
15.2000 15.2652 -.0652 1 0 0
7.5830 7.5719 .0111 0 1 0
4.4300 4.4277 .0023 1 -1 2
4.2990 4.2992 -.0002 0 -1 2
3.7850 3.7860 -.0010 0 2 0
3.7230 3.7253 -.0023 -1 0 2
3.5740 3.5769 -.0029 1 2 0
3.5220 3.5211 .0009 0 -2 2
3.3280 3.3284 -.0004 -2 0 2
3.2260 3.2260 -.0000 -3 2 0
2.9620 2.9617 .0003 -1 2 1
2.9260 2.9252 .0008 1 2 1
A= 15.79 DA= .01
B= 8.395 DB= .001
C= 8.932 DC= .001
GAMMA=101.57 DGAMMA= .02
BETA = 76.77 DBETA = .01
ALPHA=114.73 DALPHA= .01
V=1038.7
8. 33-0691
C2H8N4O2*FeH3PO4
Triklin
Dexp Dcal d(D) h k l
7.5200 7.5367 -.0167 -1 1 0
4.8820 4.8896 -.0076 1 1 0
4.7270 4.7295 -.0025 -1 0 1
4.2950 4.2956 -.0006 1 1 1
3.9290 3.9300 -.0010 0 2 0
3.8050 3.8066 -.0016 2 0 1
3.7700 3.7684 .0016 -2 2 0
3.6580 3.6581 -.0001 -2 1 1
3.3290 3.3281 .0009 1 -2 1
3.1430 3.1431 -.0001 2 -2 1
3.0580 3.0584 -.0004 1 2 1
2.9620 2.9638 -.0018 -3 2 0
A= 9.448 DA= .005
B= 8.713 DB= .002
C= 6.371 DC= .003
GAMMA=113.12 DGAMMA= .04
BETA = 85.80 DBETA = .02
ALPHA= 81.38 DALPHA= .02
V=472.0
9. 33-1250
Na3Fe2As3O12
Triklin
Dexp Dcal d(D) h k l
7.3750 7.3733 .0017 1 0 0
4.6000 4.5989 .0011 1 2 0
4.3730 4.3728 .0002 0 -2 1
4.0530 4.0531 -.0001 0 1 2
3.2380 3.2385 -.0005 2 2 0
3.1100 3.1100 -.0000 1 -2 2
3.0030 3.0025 .0005 2 -1 2
2.8620 2.8615 .0005 2 -2 1
2.8270 2.8271 -.0001 -1 -2 2
2.6700 2.6704 -.0004 2 1 3
2.5980 2.5978 .0002 1 4 0
2.4680 2.4678 .0002 3 2 1
A= 7.7929 DA= .0001
B= 10.701 DB= .001
C= 8.981 DC= .001
GAMMA= 80.67 DGAMMA= .01
BETA = 72.817 DBETA = .007
ALPHA= 84.00 DALPHA= .02
V= 704.8
10. 33-1339
SrFe{CN}5NO*2H2O
Triklin
Dexp Dcal d(D) h k l
9.7700 9.7801 -.0101 1 0 0
5.3500 5.3360 .0140 0 1 1
4.8000 4.8026 -.0026 0 -1 1
4.7300 4.7283 .0017 1 0 1
4.1200 4.1207 -.0007 1 -1 1
4.1100 4.1116 -.0016 1 1 1
3.1620 3.1627 -.0007 -1 -2 1
2.7600 2.7606 -.0006 -3 1 2
2.6800 2.6803 -.0003 1 1 2
2.5400 2.5408 -.0008 -4 0 1
2.3700 2.3696 .0004 1 2 2
2.2810 2.2797 .0013 -4 0 2
A= 10.4616 DA= .0008
B= 8.617 DB= .003
C= 6.710 DC= .004
GAMMA=102.46 DGAMMA= .02
BETA =108.332 DBETA = .003
ALPHA= 80.28 DALPHA= .01
V= 557.3
11. 33-1722
С8H4FeO4*2H2O
Triklin
Dexp Dcal d(D) h k l
9.1800 9.1696 .0104 1 0 0
7.0200 7.0282 -.0082 0 1 0
6.1700 6.2022 -.0322 0 0 1
4.8200 4.8163 .0037 -1 -1 1
4.5800 4.5848 -.0048 2 0 0
4.0100 4.0088 .0012 -2 -1 1
3.6200 3.6217 -.0017 1 -1 1
3.5600 3.5630 -.0030 -2 1 1
3.0760 3.0748 .0012 2 1 1
2.9760 2.9806 -.0046 3 1 0
2.6530 2.6537 -.0007 -3 1 0
2.5700 2.5696 .0004 1 1 2
A= 9.839 DA= .003
B= 7.119 DB= .001
C= 6.5753 DC= .0004
GAMMA= 81.037 DGAMMA= .003
BETA =109.31 DBETA = .01
ALPHA= 91.16 DALPHA= .03
V= 429.1
12. 33-1723
С8H5FeO5
Triklin
Dexp Dcal d(D) h k l
9.6800 9.6570 .0230 1 0 0
6.9500 6.9660 -.0160 1 1 0
6.1300 6.1174 .0126 1 0 1
5.6900 5.6993 -.0093 0 1 1
5.4500 5.4491 .0009 0 2 0
4.9100 4.9106 -.0006 -1 2 0
4.8300 4.8285 .0015 2 0 0
4.6500 4.6473 .0027 -1 0 1
4.5400 4.5464 -.0064 -2 1 0
4.1600 4.1519 .0081 2 -1 1
3.4560 3.4553 .0007 2 -2 1
3.3680 3.3660 .0020 -2 0 1
A= 10.115 DA= .002
B= 10.984 DB= .005
C= 6.547 DC= .005
GAMMA= 92.60 DGAMMA= .05
BETA = 73.25 DBETA = .02
ALPHA= 84.38 DALPHA= .07
V= 691.1
13. 33-1724
С8H6Fe2O7
Rombik
Groupa 32,55
Dexp. Dcal. d(D) h k l
10.0000 9.9804 .0196 0 0 1
6.4300 6.4893 -.0593 2 0 0
5.5900 5.5756 .0144 1 1 0
4.9800 4.9902 -.0102 0 0 2
3.3300 3.3308 -.0008 2 1 2
3.0900 3.0872 .0028 0 2 0
3.0100 3.0034 .0066 1 2 0
2.9600 2.9604 -.0004 2 0 3
2.9400 2.9493 -.0093 0 2 1
2.7610 2.7602 .0008 4 1 1
a=12.98 b= 6.17 c= 9.98
da= .06 db= .01 dc= .01
V= 799.8
14. 33-1854
С5РH6Cl4FeN
Triklin
Dexp Dcal d(D) h k l
6.9500 6.9480 .0020 1 0 0
5.3700 5.3763 -.0063 0 1 0
4.6110 4.6189 -.0079 1 1 1
3.7160 3.7236 -.0076 -1 0 1
3.5480 3.5481 -.0001 2 0 1
3.0580 3.0550 .0030 1 1 2
2.9790 2.9807 -.0017 2 1 0
2.8620 2.8588 .0032 -2 1 0
2.8010 2.8020 -.0010 1 2 1
2.6750 2.6748 .0002 2 -1 1
2.5640 2.5604 .0036 -2 0 1
2.3240 2.3240 .0000 -1 1 2
A= 7.526 DA= .009
B= 5.7358 DB= .0003
C= 6.248 DC= .002
GAMMA= 80.12 DGAMMA= .03
BETA = 67.56 DBETA = .05
ALPHA= 69.77 DALPHA= .02
V= 233.6
15. 33-1855
С10H12Cl5FeN2
Triklin
Dexp Dcal d(D) h k l
8.3500 8.3527 -.0027 0 1 1
6.8100 6.8183 -.0083 0 -1 1
5.9500 5.9483 .0017 -1 1 0
5.2650 5.2751 -.0101 -1 0 1
4.6110 4.6149 -.0039 0 -2 1
4.3120 4.3023 .0097 -1 2 1
4.0580 4.0592 -.0012 1 0 2
3.6260 3.6243 .0017 -1 -2 1
3.4080 3.4092 -.0012 0 -2 2
3.1580 3.1574 .0006 1 -2 2
2.9730 2.9742 -.0012 -2 2 0
2.8180 2.8194 -.0014 -1 0 3
A= 6.638 DA= .003
B= 11.989 DB= .003
C= 9.923 DC= .003
GAMMA= 93.496 DGAMMA= .008
BETA = 86.418 DBETA = .003
ALPHA= 78.51 DALPHA= .03
V= 770.2
16. 33-1859
C18H16Cl5FeN4
Triklin
Dexp Dcal d(D) h k l
8.3100 8.3105 -.0005 0 0 1
7.2000 7.2082 -.0082 -1 1 0
6.6300 6.6182 .0118 2 0 1
6.0500 6.0759 -.0259 2 1 0
5.6800 5.6778 .0022 -2 0 1
5.3700 5.3658 .0042 -2 -1 1
4.9300 4.9022 .0278 1 1 1
4.4100 4.4191 -.0091 1 -1 2
4.2600 4.2576 .0024 0 -2 1
4.1300 4.1316 -.0016 -2 1 1
3.9090 3.9186 -.0096 -1 0 2
3.7460 3.7441 .0019 -2 -1 2
A= 18.144 DA= .005
B= 8.58 DB= .03
C= 9.02 DC= .01
GAMMA= 91.23 DGAMMA= .02
BETA = 81.39 DBETA = .04
ALPHA=111.24 DALPHA= .06
V=1292.6
17. 33-1898
С36H32Cl10Fe2N4
Triklin
Dexp Dcal d(D) h k l
8.3500 8.3509 -.0009 -1 1 1
7.4700 7.4654 .0046 0 1 1
6.6300 6.6321 -.0021 0 -1 1
6.1300 6.1220 .0080 1 -1 1
5.6800 5.6835 -.0035 -2 1 1
5.2400 5.2334 .0066 0 1 2
4.8900 4.8931 -.0031 1 1 1
4.4400 4.4346 .0054 2 -1 1
4.2800 4.2648 .0152 2 0 1
4.1300 4.1311 -.0011 -1 -1 2
3.9160 3.9168 -.0008 0 -2 1
3.7310 3.7327 -.0017 0 2 2
A= 11.570 DA= .007
B= 9.888 DB= .007
C= 12.6779 DC= .0004
GAMMA=118.12 DGAMMA= .09
BETA =108.04 DBETA = .06
ALPHA= 75.54 DALPHA= .04
V= 1207
18. 34-0570
FeAl2
Triklin
Dexp Dcal d(D) h k l
3.9600 3.9600 .0000 -1 0 1
3.6400 3.6428 -.0028 0 1 1
3.5700 3.5620 .0080 1 -1 1
3.3200 3.3223 -.0023 2 0 1
3.3000 3.3005 -.0005 -2 0 1
2.7400 2.7427 -.0027 -2 -1 1
2.3100 2.3094 .0006 1 -3 0
2.1760 2.1757 .0003 -5 1 0
2.1100 2.1095 .0005 3 2 0
2.1000 2.1001 -.0001 -1 0 2
2.0800 2.0802 -.0002 5 0 0
2.0560 2.0562 -.0002 0 1 2
2.0500 2.0504 -.0004 -1 1 2
2.0310 2.0299 .0011 1 -1 2
2.0160 2.0164 -.0004 1 -3 1
A= 10.88 DA= .01
B= 6.95421 DB= .00002
C= 4.295 DC= .001
GAMMA=107.08 DGAMMA= .05
BETA = 89.98 DBETA = .02
ALPHA= 88.837 DALPHA= .003
V= 310.6
19. 34-0641
SrFeO3-x
Kybik
Grupa 195,200,203,213,221
Dexp Dcal d(D) h k l
3.8600 3.8903 -.0303 0 0 1
2.7500 2.7508 -.0008 0 1 1
2.2460 2.2460 -.0000 1 1 1
1.9450 1.9451 -.0001 0 0 2
1.5880 1.5882 -.0002 1 1 2
1.3750 1.3754 -.0004 0 2 2
1.2300 1.2302 -.0002 0 1 3
1.1230 1.1230 -.0000 2 2 2
1.0400 1.0397 .0003 1 2 3
a= 3.890 da=.001
v= 58.88
20. 34-0764
C12H12Cl6Fe3NO16*3H2O
Triklin
Dexp Dcal d(D) h k l
11.6000 11.6237 -.0237 1 0 0
10.2000 10.1857 .0143 0 1 0
9.9300 9.9463 -.0163 0 1 1
9.1400 9.1510 -.0110 1 0 1
8.5900 8.5971 -.0071 -1 1 0
7.3900 7.3702 .0198 0 -1 1
6.4900 6.4726 .0174 -1 1 2
4.5000 4.4973 .0027 1 1 3
4.2300 4.2313 -.0013 -1 2 3
3.9600 3.9630 -.0030 0 -1 3
3.8800 3.8799 .0001 -3 1 1
3.7500 3.7484 .0016 -1 1 4
A= 11.9061 DA= .0004
B= 10.977 DB= .003
C= 15.509 DC= .004
GAMMA=102.506 DGAMMA= .01
BETA = 93.57 DBETA = .02
ALPHA= 71.55 DALPHA= .01
V= 1877.2
21. 34-0779
Fe2Te3O9
Monoklin
GRUPA 3,6,9
Dexp. Dcal. d(D) h k l
4.4300 4.4274 .0026 1 1 0
3.2600 3.2600 .0000 -2 0 1
3.1300 3.1292 .0008 1 1 2
2.9630 2.9614 .0016 2 1 0
2.7000 2.6990 .0010 2 0 2
2.5400 2.5452 -.0052 1 2 1
1.9240 1.9241 -.0001 0 3 0
1.8620 1.8620 .0000 2 0 4
1.8020 1.8026 -.0006 -2 2 3
1.7050 1.7050 -.0000 -4 0 1
1.6350 1.6352 -.0002 -4 1 1
1.5630 1.5632 -.0002 -2 1 5
a= 6.904 b= 5.772 c= 9.04 beta= 91.92
da=.001 db= .002 dc= .003 dbet= .05
V=360.0
22. 34-0815
C12H12Cl6CrFe2NO16*3H2O
Triklin
Dexp Dcal d(D) h k l
11.7000 11.7498 -.0498 0 0 1
10.3000 10.2982 .0018 1 0 0
9.2100 9.1871 .0229 -1 1 0
8.5300 8.5319 -.0019 -1 1 1
6.5600 6.5629 -.0029 0 1 2
6.4500 6.4422 .0078 -1 2 1
4.2300 4.2307 -.0007 -2 1 2
3.9600 3.9596 .0004 1 1 3
3.9100 3.9120 -.0020 2 -2 1
3.7600 3.7594 .0006 1 2 3
3.6800 3.6795 .0005 -2 3 0
3.5800 3.5803 -.0003 -1 0 3
A= 10.791 DA= .001
B= 13.77 DB= .02
C= 13.18 DC= .02
GAMMA=106.96 DGAMMA= .09
BETA = 94.16 DBETA = .06
ALPHA= 63.32 DALPHA= .09
V= 1671
23. 34-1277
Fe17Y2
Triklin
Dexp Dcal d(D) h k l
3.0000 3.0003 -.0003 -2 1 0
2.4800 2.4805 -.0005 3 3 0
2.2200 2.2192 .0008 4 2 0
2.1500 2.1513 -.0013 -1 3 0
2.1400 2.1395 .0005 2 4 0
2.0900 2.0895 .0005 -1 1 2
2.0400 2.0403 -.0003 0 -1 2
1.9840 1.9808 .0032 4 0 0
1.9070 1.9056 .0014 0 4 0
1.8810 1.8816 -.0006 1 -1 2
1.5120 1.5114 .0006 -4 -3 2
1.4940 1.4944 -.0004 -2 3 2
A= 8.908 DA= .001
B= 8.601 DB= .002
C= 4.4317 DC= .0004
GAMMA= 63.346 DGAMMA= .003
BETA = 92.526 DBETA = .008
ALPHA= 84.51 DALPHA= .01
V=300.6
24. 34-1393
Li3Fe{CN}6*4H2O
Triklin
Dexp Dcal d(D) h k l
9.2600 9.2606 -.0006 -1 0 1
8.2400 8.2333 .0067 1 0 1
7.6200 7.6316 -.0116 0 -1 1
7.0400 7.0581 -.0181 -1 -1 1
6.4000 6.3976 .0024 2 0 0
5.9300 5.9298 .0002 -2 0 1
5.0700 5.0740 -.0040 2 1 1
4.7300 4.7328 -.0028 -1 2 0
4.2700 4.2651 .0049 3 0 0
3.9100 3.9116 -.0016 -1 0 3
3.8000 3.7995 .0005 3 1 1
3.6200 3.6157 .0043 0 -1 3
A= 12.955 DA= .005
B= 10.751 DB= .002
C= 11.979 DC= .001
GAMMA= 83.99 DGAMMA= .01
BETA = 96.285 DBETA = .006
ALPHA= 86.121 DALPHA= .005
V= 1644.06
25. 34-1472
СaNdFeO4
Triklin
Dexp Dcal d(D) h k l
6.0500 6.0458 .0042 1 0 0
3.6770 3.6800 -.0030 0 0 1
3.1390 3.1393 -.0003 0 -2 1
3.0200 3.0186 .0014 2 1 0
2.7854 2.7860 -.0006 0 4 0
2.7436 2.7446 -.0010 1 1 1
2.7122 2.7126 -.0004 1 -1 1
2.0464 2.0455 .0009 -3 -1 1
2.0297 2.0300 -.0003 3 1 0
2.0160 2.0153 .0007 3 0 0
2.0125 2.0124 .0001 2 -1 1
1.9274 1.9273 .0001 -2 4 0
A= 6.3673 DA= .0004
B= 11.2830 DB= .0001
C= 3.84691 DC= .00009
GAMMA= 81.407 DGAMMA= .002
BETA =106.74 DBETA = .02
ALPHA= 95.03 DALPHA= .04
V= 261.4
26. 34-1544
С11H10FeO2
Triklin
Dexp Dcal d(D) h k l
6.4600 6.4532 .0068 -1 1 0
6.2900 6.2556 .0344 0 1 1
5.6700 5.6590 .0110 0 -1 1
5.0700 5.0622 .0078 1 0 1
4.6800 4.6810 -.0010 0 -2 1
4.5000 4.4999 .0001 1 -1 1
4.2900 4.2938 -.0038 1 3 1
4.1900 4.1962 -.0062 -1 -2 1
4.0700 4.0787 -.0087 -1 2 1
3.9700 3.9667 .0033 1 4 0
3.5300 3.5304 -.0004 -1 3 1
3.4000 3.4002 -.0002 2 0 1
A= 8.032 DA= .004
B= 16.763 DB= .009
C= 6.478 DC= .009
GAMMA= 76.12 DGAMMA= .01
BETA = 85.05 DBETA = .04
ALPHA= 80.70 DALPHA= .06
V= 834.5
27. 34-1559
C11H12FeO
Triklin
Dexp Dcal d(D) h k l
7.5100 7.4809 .0291 -1 1 1
6.3000 6.3022 -.0022 0 -1 1
6.0500 6.0447 .0053 1 -1 1
5.7200 5.7248 -.0048 0 0 2
5.4800 5.4833 -.0033 -2 0 1
5.2300 5.2296 .0004 1 1 2
5.0900 5.0894 .0006 -1 0 2
5.0300 5.0238 .0062 2 1 1
4.9300 4.9236 .0064 2 -1 1
4.8400 4.8462 -.0062 0 2 1
4.7300 4.7410 -.0110 -1 2 1
4.6300 4.6275 .0025 0 2 0
A= 13.25 DA= .01
B= 9.8273 DB= .0008
C= 12.057 DC= .007
GAMMA= 97.71 DGAMMA= .09
BETA = 87.78 DBETA = .07
ALPHA= 72.37 DALPHA= .007
V=1476.9
28. 35-0518
СCa3ZnFe6{AsO4}5{OH}11*5H2O
Triklin
Dexp Dcal d(D) h k l
14.8000 14.2903 .5097 0 1 0
7.4700 7.4646 .0054 1 0 0
5.7000 5.6991 .0009 -1 2 1
5.4320 5.4303 .0017 1 0 1
4.5200 4.5183 .0017 0 2 2
4.5200 4.5183 .0017 0 2 2
3.7310 3.7323 -.0013 2 0 0
3.2840 3.2846 -.0006 -1 4 2
3.1980 3.1988 -.0008 0 -4 1
3.1320 3.1316 .0004 -1 -1 3
2.9980 2.9978 .0002 -1 -3 2
2.8360 2.8355 .0005 1 0 3
A= 7.830 DA= .003
B= 14.797 DB= .002
C= 10.669 DC= .001
GAMMA=101.269 DGAMMA= .006
BETA =105.49 DBETA = .01
ALPHA= 77.492 DALPHA= .004
V=1150.
29. 35-0553
Ca3Fe7{AsO4}6{OH}9*18H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.6000 5.5800 .0200 1 0 1
3.2500 3.2509 -.0009 2 1 0
2.7900 2.7900 -.0000 2 0 2
2.5200 2.5211 -.0011 1 3 1
2.3300 2.3305 -.0005 2 2 2
2.2300 2.2296 .0004 2 3 1
1.9700 1.9699 .0001 0 0 3
1.8300 1.8300 .0000 4 1 1
1.7600 1.7600 .0000 4 0 0
1.6300 1.6299 .0001 0 5 1
1.5100 1.5100 -.0000 -2 0 3
a= 7.51 b= 8.478 c= 6.30 beta= 69.67
da= .01 db=.004 dc= .02 dbeta=.2
V= 376.1
30. 35-0841
SrFe{CN}5NO*4H2O
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
9.9800 9.9116 .0684 0 1 0
5.4300 5.4458 -.0158 1 0 1
4.9600 4.9558 .0042 0 2 0
4.5000 4.5197 -.0197 0 0 3
4.1300 4.1123 .0177 0 1 3
4.0800 4.0752 .0048 1 1 2
3.3080 3.3039 .0041 0 3 0
2.7960 2.7979 -.0019 0 2 4
2.6550 2.6570 -.0020 1 3 2
2.5490 2.5496 -.0006 2 2 0
2.4840 2.4840 .0000 2 0 3
2.3950 2.3943 .0007 1 1 5
1.7550 1.7543 .0007 2 4 3
a= 5.95 b= 9.912 c=13.559
da= .01 db= .009 dc= .007
v= 799
31. 35-0841
SrFe{CN}5NO*4H2O
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
9.9800 9.9116 .0684 0 1 0
5.4300 5.4458 -.0158 1 0 1
4.9600 4.9558 .0042 0 2 0
4.5000 4.5197 -.0197 0 0 3
4.1300 4.1123 .0177 0 1 3
4.0800 4.0752 .0048 1 1 2
3.3080 3.3039 .0041 0 3 0
2.7960 2.7979 -.0019 0 2 4
2.6550 2.6570 -.0020 1 3 2
2.5490 2.5496 -.0006 2 2 0
2.4840 2.4840 .0000 2 0 3
2.3950 2.3943 .0007 1 1 5
1.7550 1.7543 .0007 2 4 3
a= 5.95 b= 9.912 c=13.559
da= .01 db= .009 dc= .007
v= 799
32. 35-1785
C14H20BrFeN
Triklin
Dexp Dcal d(D) h k l
9.5860 9.5604 .0256 1 1 0
7.2350 7.2698 -.0348 0 0 1
6.3310 6.3276 .0034 0 -2 1
5.8900 5.8888 .0012 1 0 1
5.6110 5.6133 -.0023 -1 -2 1
5.5070 5.5161 -.0091 1 1 1
5.3740 5.3633 .0107 -1 3 0
5.1570 5.1669 -.0099 2 1 0
4.9700 4.9713 -.0013 -2 1 0
4.8880 4.8900 -.0020 -1 -3 1
4.5750 4.5776 -.0026 1 4 0
4.3630 4.3622 .0008 -2 -1 1
A= 10.531 DA= .002
B= 19.91 DB= .01
C= 7.366 DC= .009
GAMMA= 85.24 DGAMMA= .01
BETA = 92.54 DBETA = .01
ALPHA= 99.11 DALPHA= .01
V=1518.6
33. 35-1791
C64H32Fe2N16O
Triklin
Dexp Dcal d(D) h k l
12.6300 12.6315 -.0015 0 0 1
8.9800 8.9790 .0010 0 1 0
6.3000 6.2988 .0012 2 0 1
5.6700 5.6682 .0018 2 -1 1
4.0300 4.0301 -.0001 0 2 1
3.7500 3.7498 .0002 -4 1 1
3.5800 3.5804 -.0004 4 -1 1
3.1900 3.1903 -.0003 4 1 1
3.0800 3.0846 -.0046 4 -2 1
2.9900 2.9900 .0000 -4 -1 3
2.8500 2.8503 -.0003 0 2 3
2.5400 2.5411 -.0011 0 -1 5
A= 16.211 DA= .001
B= 9.1508 DB= .0003
C= 12.927 DC= .001
GAMMA= 96.16 DGAMMA= .03
BETA = 98.06 DBETA = .01
ALPHA= 98.27 DALPHA= .01
V= 1863.0
34. 35-1793
C32H16FeN8*2C5H5N
Triklin
Dexp Dcal d(D) h k l
12.5900 12.5517 .0383 0 1 1
11.5700 11.5841 -.0141 1 0 0
11.1200 11.1577 -.0377 0 -1 1
10.3200 10.3420 -.0220 -1 1 0
9.7100 9.6651 .0449 0 0 2
8.8800 8.8907 -.0107 -1 1 1
8.1200 8.1052 .0148 1 0 2
7.6900 7.6914 -.0014 0 -1 2
7.1600 7.1486 .0114 -1 -1 1
6.5800 6.5698 .0102 1 -2 1
6.0600 6.0706 -.0106 1 0 3
5.6400 5.6420 -.0020 1 -2 2
A= 12.012 DA= .002
B= 15.337 DB= .004
C= 19.672 DC= .002
GAMMA=102.13 DGAMMA= .01
BETA = 81.863 DBETA = .001
ALPHA= 84.98 DALPHA= .03
V=3478
35. 35-1814
C8H8FeO8*4H2O
Triklin
Dexp Dcal d(D) h k l
6.5600 6.5641 -.0041 -1 1 0
5.0200 5.0339 -.0139 0 1 1
4.4000 4.3996 .0004 0 -1 1
4.1500 4.1507 -.0007 1 1 0
3.6800 3.6787 .0013 2 -1 1
3.3000 3.2992 .0008 -1 2 1
3.0200 3.0195 .0005 2 -2 1
2.8600 2.8597 .0003 0 -2 1
2.6600 2.6600 .0000 -3 1 0
2.6500 2.6503 -.0003 3 -1 1
2.2900 2.2899 .0001 -2 3 1
2.2800 2.2798 .0002 1 2 2
2.1100 2.1100 .0000 2 2 1
1.7500 1.7500 .0000 -3 0 2
A= 8.1543 DA= .0004
B= 7.55737 DB= .00005
C= 6.625 DC= .003
GAMMA=114.43 DGAMMA= .02
BETA = 79.14 DBETA = .01
ALPHA= 87.603 DALPHA= .002
V= 361.8
36. 35-1850
C5H5MoNO3}x
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.4800 11.4779 .0021 0 0 1
5.7200 5.7166 .0034 -1 1 1
3.8800 3.8754 .0046 0 2 0
3.1000 3.1002 -.0002 -3 0 2
2.8500 2.8497 .0003 3 1 0
2.5200 2.5205 -.0005 0 3 1
2.0100 2.0101 -.0001 -3 3 1
1.9200 1.9200 -.0000 0 3 4
1.7900 1.7899 .0001 -3 3 4
1.5400 1.5400 -.0000 -5 1 6
a= 9.6013 b= 7.751 c= 11.988 beta= 106.77
da= .0009 db= .004 dc= 5.880 dbeta=.02
V= 854.2
37. 35-1874
C11H10Cl2FeN4O*0.5H2O
Monoklin
GRUPA 3,6,10
Dexp. Dcal. d(D) h k l
9.8000 9.7922 .0078 1 0 1
7.5600 7.5806 -.0206 1 1 0
7.1500 7.1883 -.0383 1 1 1
6.4700 6.4608 .0092 -1 0 1
5.4300 5.4304 -.0004 2 0 0
5.1300 5.1284 .0016 2 1 1
4.6500 4.6562 -.0062 1 2 1
4.2200 4.2200 .0000 -2 0 1
3.9200 3.9200 .0000 -2 1 1
a= 11.814 b= 10.59 c= 11.6517 beta= 66.82
da= .002 db= .02 dc=.0002 dbet=.01
V=1337
38. 35-1931
{C36H20FeN10*0.3C6H5Cl}n
Triklin
Dexp Dcal d(D) h k l
18.5000 18.4957 .0043 1 0 0
15.9200 15.9012 .0188 0 1 0
13.5500 13.5199 .0301 0 0 1
12.3400 12.3385 .0015 0 1 1
10.1200 10.1238 -.0038 -1 1 1
6.7600 6.7600 .0000 0 0 2
6.1400 6.1403 -.0003 -1 0 2
5.4500 5.4495 .0005 -3 1 1
4.5100 4.5105 -.0005 1 -2 2
4.1100 4.1015 .0085 -3 -2 1
3.7500 3.7550 -.0050 4 2 2
3.4100 3.4085 .0015 2 1 4
3.2000 3.2013 -.0013 -3 -1 3
3.0900 3.0896 .0004 1 5 0
A= 18.63 DA= .01
B= 16.74 DB= .03
C= 14.26 DC= .03
GAMMA= 93.29 DGAMMA= .09
BETA = 85.13 DBETA = .06
ALPHA= 72.51 DALPHA= .07
V=4220
39. 35-1932
{c36H20FeN10*0.5C6H6}n
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
13.5900 13.6270 -.0370 0 1 0
7.4500 7.4576 -.0076 0 1 1
6.2700 6.2731 -.0031 1 1 1
5.8000 5.7993 .0007 -1 0 1
4.1400 4.1400 -.0000 1 1 2
3.4200 3.4201 -.0001 2 1 2
3.1400 3.1400 .0000 1 3 2
a= 9.199 b= 13.627 c= 9.085 beta= 78.742
da= .001 db= .003 dc=.001 dbet=.008
V=1117
40. 35-1933
{C36H20FeN10*0.5C6H6}n
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
13.6800 13.6800 .0000 1 0 0
7.4200 7.4148 .0052 0 1 1
6.2800 6.2828 -.0028 1 1 1
5.8500 5.8419 .0081 2 0 1
5.6400 5.6371 .0029 -2 0 2
5.0700 5.0686 .0014 0 0 3
4.0900 4.0900 .0000 0 2 1
3.4200 3.4200 .0000 4 0 0
a= 13.9266 b= 8.4930 c= 15.4800 beta= 100.792
da=.0001 db=.0001 dc=.0001 dbet=.003
V=1798.5