1. 38-0050
LiFeH4{P2O7}
Triklin
Dexp Dcal d(D) h k l
8.3000 8.3055 -.0055 1 0 0
7.5500 7.5752 -.0252 1 1 0
6.4500 6.4467 .0033 0 1 1
6.1500 6.1831 -.0331 -1 1 0
5.0000 4.9876 .0124 0 2 1
4.8800 4.8848 -.0048 1 2 1
4.6100 4.6136 -.0036 -1 1 1
4.3700 4.3683 .0017 -1 2 0
4.2100 4.2051 .0049 2 1 0
4.1500 4.1527 -.0027 2 0 0
3.7900 3.7876 .0024 2 2 0
3.7000 3.7009 -.0009 -1 -2 1
A= 8.6214 DA= .0007
B= 12.3924 DB= .0005
C= 6.9372 DC= .0002
GAMMA= 75.814 DGAMMA= .002
BETA = 80.342 DBETA = .001
ALPHA= 75.206 DALPHA= .001
V=689.6
2. 38-0051
LiFeH4{P2O7}2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.5000 7.4932 .0068 0 1 1
7.1000 7.1046 -.0046 1 1 1
4.3600 4.3622 -.0022 2 0 3
4.3000 4.2992 .0008 1 2 0
4.2100 4.2094 .0006 0 0 3
3.7500 3.7466 .0034 0 2 2
3.4400 3.4390 .0010 2 0 4
3.1800 3.1829 -.0029 2 2 3
2.8400 2.8396 .0004 -1 3 1
2.7850 2.7849 .0001 0 3 2
2.7500 2.7496 .0004 -3 0 2
2.6850 2.6852 -.0002 4 1 0
a= 12.37 b= 9.3091 c= 13.923 beta= 65.09
da=.01 db=.0007 dc= .002 dbeta=.06
V= 1454
Triklin
Dexp Dcal d(D) h k l
7.5000 7.5060 -.0060 1 0 0
7.1000 7.0983 .0017 0 1 0
4.3600 4.3610 -.0010 -1 1 1
4.3000 4.3021 -.0021 0 1 1
4.2100 4.2089 .0011 -1 -1 1
3.7500 3.7530 -.0030 2 0 0
3.4400 3.4408 -.0008 -2 0 1
3.1800 3.1824 -.0024 1 -2 2
2.8400 2.8392 .0008 -1 1 2
2.7850 2.7848 .0002 0 1 2
2.7500 2.7489 .0011 -3 1 0
2.6850 2.6854 -.0004 -2 0 2
A= 8.285 DA= .001
B= 8.3089 DB= .0009
C= 7.476 DC= .002
GAMMA=114.547 DGAMMA= .009
BETA = 86.410 DBETA = .005
ALPHA=109.763 DALPHA= .002
V= 438.8
3. 38-0052
Fe4{P4O12}3
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
5.6600 5.6598 .0002 2 0 0
4.8100 4.8088 .0012 -1 1 1
4.3900 4.3916 -.0016 1 1 1
3.7000 3.7004 -.0004 -1 0 3
3.4600 3.4599 .0001 -2 0 3
3.1000 3.0995 .0005 -1 1 3
3.7200 2.7200 .0000 2 0 3
a= 11.7272 b= 5.6740 c= 11.1190 beta= 105.145
da=.0009 db=.0001 dc=.0008 dbet= .002
М=714.2
4. 38-0053
KFeH4{P2O7}2
Triklin
Dexp Dcal d(D) h k l
7.7000 7.6891 .0109 -1 0 1
7.1500 7.1383 .0117 -1 1 0
5.5500 5.5396 .0104 1 0 1
4.2200 4.2177 .0023 -1 1 2
3.9200 3.9231 -.0031 -1 -1 2
3.5600 3.5629 -.0029 2 -1 1
3.2400 3.2402 -.0002 -3 0 1
3.2000 3.2006 -.0006 2 1 1
3.1400 3.1381 .0019 0 -2 2
3.1200 3.1219 -.0019 0 2 2
2.8800 2.8795 .0005 -2 1 3
2.5700 2.5717 -.0017 -3 1 3
A= 9.9275 DA= .0003
B= 9.122 DB= .003
C= 9.2643 DC= .0002
GAMMA=101.554 DGAMMA= .009
BETA =108.79 DBETA = .01
ALPHA= 86.587 DALPHA= .003
V=777.6
5. 38-0054
KFeH4{P2O7}2
Triklin
Dexp Dcal d(D) h k l
7.7000 7.7003 -.0003 1 1 0
7.1500 7.1070 .0430 1 1 1
5.5500 5.5530 -.0030 0 -1 1
4.2200 4.2212 -.0012 1 -1 1
3.9200 3.9169 .0031 2 0 1
3.5600 3.5535 .0065 2 2 2
3.2400 3.2398 .0002 1 3 1
3.2000 3.2002 -.0002 -2 -2 1
3.1400 3.1420 -.0020 2 3 1
3.1200 3.1186 .0014 0 1 3
2.8800 2.8805 -.0005 -2 -1 2
2.5700 2.5693 .0007 -3 0 1
A= 9.32 DA= .01
B= 9.786 DB= .004
C= 9.673 DC= .004
GAMMA= 63.18 DGAMMA= .05
BETA = 76.80 DBETA = .04
ALPHA= 71.41 DALPHA= .02
V= 742.1
6. 38-0080
KFe2{H2P3O10}{P4O12}
Triklin
Dexp Dcal d(D) h k l
6.8900 6.8943 -.0043 -1 -1 1
6.6300 6.6446 -.0146 0 1 1
6.2600 6.2643 -.0043 0 -1 1
5.6700 5.6720 -.0020 -1 1 1
5.3300 5.3334 -.0034 -2 0 1
5.2000 5.1780 .0220 -2 -1 1
4.6900 4.6885 .0015 -1 -1 2
4.6700 4.6885 -.0185 -1 -1 2
4.3500 4.3591 -.0091 0 1 2
4.2800 4.2871 -.0071 0 2 0
3.6900 3.6948 -.0048 1 1 2
3.6100 3.6058 .0042 -1 2 1
A= 11.1480 DA= .0008
B= 8.92250 DB= .00003
C= 10.6905 DC= .0004
GAMMA= 74.299 DGAMMA= .003
BETA =113.653 DBETA = .004
ALPHA= 93.2296 DALPHA= .0001
V=936
7. 38-0081
NH4Fe2{H3P3O10}{P4O12}
Triklin
Dexp Dcal d(D) h k l
6.8400 6.8182 .0218 1 0 0
6.7300 6.7249 .0051 0 1 0
6.6500 6.6389 .0111 -1 0 1
6.3900 6.3862 .0038 1 0 1
6.2000 6.2068 -.0068 0 1 1
5.6100 5.6152 -.0052 1 0 2
5.5600 5.5606 -.0006 -1 1 0
5.3200 5.3246 -.0046 -1 1 1
5.1500 5.1569 -.0069 -1 0 3
4.8200 4.8170 .0030 1 0 3
4.6600 4.6520 .0080 0 1 3
4.3700 4.3715 -.0015 0 0 5
A= 7.0630 DA= .0001
B= 7.0086 DB= .0002
C= 22.0557 DC= .0003
GAMMA=104.6353 DGAMMA= .0002
BETA = 92.0952 DBETA = .0001
ALPHA= 96.632 DALPHA= .002
V=1045
8. 38-0082
RbFe2{H2P3O10}{P4O12}
Triklin
Dexp Dcal d(D) h k l
5.9100 5.9136 -.0036 -2 0 1
5.6500 5.6492 .0008 0 -2 1
5.3200 5.3250 -.0050 2 1 2
5.1600 5.1610 -.0010 -1 2 0
4.5800 4.5782 .0018 2 2 0
4.3600 4.3516 .0084 -2 -2 1
4.2800 4.2811 -.0011 -2 2 0
3.8600 3.8591 .0009 -2 0 3
3.8200 3.8213 -.0013 -2 -1 3
3.6200 3.6193 .0007 4 0 1
3.5600 3.5612 -.0012 -3 -2 1
3.5000 3.5001 -.0001 4 0 0
A= 14.501 DA= .005
B= 11.537 DB= .002
C= 17.178 DC= .003
GAMMA= 88.15 DGAMMA= .04
BETA = 75.41 DBETA = .03
ALPHA= 97.59 DALPHA= .04
V=2751
9. 38-0083
CsFe2{H2P3O10}{P4O12}
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.7200 8.7139 .0061 1 1 0
6.7400 6.7191 .0209 -1 1 1
5.9900 5.9996 -.0096 2 1 1
5.7300 5.7397 -.0097 2 0 2
5.3900 5.3815 .0085 -1 0 2
5.2000 5.1819 .0181 1 2 0
4.9400 4.9473 -.0073 -2 1 1
4.4900 4.4925 -.0025 3 0 2
4.3700 4.3696 .0004 2 0 3
4.3300 4.3214 .0086 1 2 2
4.3000 4.2899 .0101 3 1 0
3.8700 3.8742 -.0042 -1 2 2
a= 14.62 b= 11.16 c=13.878 beta= 72.4
da=.01 db=.02 dc=.002 dbeta=.1
V= 2160
Triklin
Dexp Dcal d(D) h k l
8.7200 8.7282 -.0082 0 1 0
6.7400 6.7673 -.0273 0 -1 2
5.9900 5.9811 .0089 1 0 0
5.7300 5.7315 -.0015 1 0 1
5.3900 5.4161 -.0261 0 -1 3
5.2000 5.1977 .0023 -1 1 0
4.9400 4.9565 -.0165 -1 1 1
4.4900 4.4873 .0027 -1 1 2
4.3700 4.3641 .0059 0 2 0
4.3300 4.3308 -.0008 0 -2 1
4.3000 4.2975 .0025 -1 -1 2
3.8700 3.8724 -.0024 0 2 2
A= 6.01590 DA= .00001
B= 8.80523 DB= .00001
C= 19.54917 DC= .00000
GAMMA= 96.15526 DGAMMA= .00000
BETA = 89.04021 DBETA = .00006
ALPHA= 94.53129 DALPHA= .00002
V=1026.0
10. 38-0109
Fe{PO3}3
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.4500 5.4526 -.0026 -1 1 1
5.2900 5.2919 -.0019 1 1 1
4.6700 4.6710 -.0010 -3 0 3
3.8700 3.8684 .0016 2 0 5
3.7500 3.7499 .0001 -4 0 1
3.6700 3.6668 .0032 -3 1 3
3.5700 3.5706 -.0006 -2 0 7
3.4200 3.4174 .0026 2 0 6
3.2700 3.2678 .0022 -1 0 8
3.0700 3.0700 .0000 -3 1 6
3.0100 3.0119 -.0019 1 0 8
2.9430 2.9460 -.0030 5 0 0
a= 15.021 b= 5.919 c= 26.149 beta= 101.29
da= .001 db=.001 dc=.001 dbeta=.01
V= 2280
Triklin
Dexp Dcal d(D) h k l
5.4500 5.4461 .0039 1 0 0
5.2900 5.2921 -.0021 -1 0 1
4.6700 4.6673 .0027 -1 -2 1
3.8700 3.8648 .0052 -1 2 0
3.7500 3.7442 .0058 -1 -3 1
3.6700 3.6751 -.0051 1 -1 1
3.5700 3.5653 .0047 1 1 1
3.4200 3.4203 -.0003 1 3 0
3.2700 3.2748 -.0048 0 1 2
3.0700 3.0745 -.0045 0 -4 1
3.0100 3.0110 -.0010 -1 -4 1
2.9430 2.9466 -.0036 -2 -1 1
A= 5.8973 DA= .0002
B= 12.7603 DB= .0009
C= 8.0611 DC= .0007
GAMMA= 78.589 DGAMMA= .003
BETA =111.84 DBETA = .01
ALPHA=106.855 DALPHA= .003
V=536.1
11. 38-0508
Ca2FeO3.5
Rombik
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
6.8600 6.8594 .0006 0 0 1
3.6930 3.7007 -.0077 2 0 1
3.0580 3.0615 -.0035 2 2 0
2.9310 2.9302 .0008 3 0 0
2.7970 2.7957 .0013 2 2 1
2.7140 2.7064 .0076 1 3 0
2.6750 2.6732 .0018 0 2 2
2.5570 2.5575 -.0005 1 2 2
2.2810 2.2783 .0027 3 2 1
2.2270 2.2278 -.0008 3 0 2
2.1270 2.1282 -.0012 4 1 0
2.0320 2.0326 -.0006 4 1 1
a= 8.791 b= 8.53 c= 6.859
da= .001 db= .01 dc= .004
v= 514.6
Triklin
Dexp Dcal d(D) h k l
6.8600 6.8602 -.0002 -1 1 0
3.6930 3.6876 .0054 0 0 1
3.0580 3.0580 .0000 0 -2 1
2.9310 2.9311 -.0001 -2 0 1
2.7970 2.7965 .0005 2 3 0
2.7140 2.7129 .0011 -2 2 1
2.6750 2.6732 .0018 -3 1 0
2.5570 2.5570 -.0000 -2 -2 1
2.2810 2.2808 .0002 -2 -3 1
2.2270 2.2271 -.0001 1 4 1
2.1270 2.1270 .0000 -3 -2 1
2.0320 2.0325 -.0005 3 -1 1
A= 8.2346 DA= .0009
B= 11.984 DB= .002
C= 3.727 DC= .001
GAMMA= 92.67 DGAMMA= .01
BETA = 97.62 DBETA = .01
ALPHA= 86.283 DALPHA= .005
V= 363.52
12. 38-0518
CsFe0.5Co).5Cl3*2H2O
Triklin
Dexp Dcal d(D) h k l
5.6400 5.6397 .0003 -1 0 1
4.8200 4.8195 .0005 -2 0 1
4.7000 4.7033 -.0033 1 1 1
4.4100 4.4094 .0006 -2 1 1
4.2600 4.2576 .0024 -2 -2 1
3.9200 3.9197 .0003 -3 0 1
3.7400 3.7398 .0002 -3 2 0
3.5600 3.5593 .0007 0 3 1
3.1600 3.1607 -.0007 0 -4 1
3.0200 3.0183 .0017 -4 2 0
2.8600 2.8600 -.0000 0 -1 2
2.7900 2.7897 .0003 -1 -2 2
A= 14.106 DA= .005
B= 14.531 DB= .007
C= 5.848 DC= .001
GAMMA= 84.135 DGAMMA= .002
BETA = 99.68 DBETA = .01
ALPHA= 95.16 DALPHA= .03
V=1173.5
13. 38-0559
Na12Th{Fe{CN}6}4*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
13.3900 13.3888 .0012 0 0 1
9.8200 9.7420 .0780 1 0 1
6.8100 6.8106 -.0006 1 1 0
5.6800 5.6683 .0117 -2 0 1
5.0400 5.0450 -.0050 2 1 0
4.6700 4.6739 -.0039 -1 1 2
3.6500 3.6506 -.0006 -1 2 1
3.4300 3.4318 -.0018 0 2 2
3.2100 3.2130 -.0030 -3 1 2
3.0800 3.0820 -.0020 2 0 4
2.6100 2.6105 -.0005 1 3 0
2.5400 2.5391 .0009 0 1 5
a= 13.0525 b= 7.994 c= 13.435 beta= 85.237
da=.0002 db=.005 dc= .002 dbeta=.001
V= 1397.0
Triklin
Dexp Dcal d(D) h k l
13.3900 13.1880 .2020 0 1 0
9.8200 9.8136 .0064 1 1 0
6.8100 6.8073 .0027 1 1 1
5.6800 5.6850 -.0050 1 -1 1
5.0400 5.0348 .0052 2 0 0
4.6700 4.6664 .0036 1 3 0
3.6500 3.6498 .0002 -2 -2 1
3.4300 3.4316 -.0016 2 -2 1
3.2100 3.2082 .0018 2 -1 2
3.0800 3.0804 -.0004 -1 -4 1
2.6100 2.6100 .0000 4 3 0
2.5400 2.5401 -.0001 4 4 1
A= 11.273 DA= .003
B= 14.113 DB= .008
C= 7.692 DC= .004
GAMMA= 69.19 DGAMMA= .02
BETA = 72.27 DBETA = .04
ALPHA= 85.15 DALPHA= .06
V= 1089.2
14. 38-0560
Na5Fe{H2{IO6}2{OH}2*6H2O
Monoklin
GRUPA 3,6,10
Dexp. Dcal. d(D) h k l
7.4200 7.4620 -.0420 0 0 1
4.6200 4.6122 .0078 2 1 0
4.2700 4.2687 .0013 1 2 0
3.8400 3.8427 -.0027 2 1 1
3.5000 3.5026 -.0026 2 2 0
3.1300 3.1314 -.0014 3 0 1
2.8700 2.8693 .0007 0 3 1
2.6400 2.6401 -.0001 -3 0 2
2.5000 2.5001 -.0001 3 0 2
2.3300 2.3312 -.0012 0 4 0
2.1700 2.1699 .0001 -1 2 3
1.9400 1.9410 -.0010 3 1 3
1.8000 1.7992 .0008 2 3 3
1.6900 1.6897 .0003 5 3 1
1.6900 1.6894 .0006 -1 4 3
1.5200 1.5201 -.0001 -6 3 1
a= 10.6296 b= 9.325 c= 7.473 beta= 93.119
da=.0007 db=.002 dc=.005 dbet=.005
V=738.0
Triklin
Dexp Dcal d(D) h k l
7.4200 7.4313 -.0113 1 0 0
4.6200 4.6160 .0040 0 1 1
4.2700 4.2661 .0039 0 -1 1
3.8400 3.8419 -.0019 -1 0 2
3.5000 3.4978 .0022 0 0 2
3.1300 3.1339 -.0039 -1 -1 2
2.8700 2.8704 -.0004 -2 1 2
2.6400 2.6386 .0014 -1 -2 1
2.5000 2.4996 .0004 -2 0 3
2.3300 2.3295 .0005 -3 1 2
2.1700 2.1706 -.0006 -2 2 0
1.9400 1.9398 .0002 2 -1 2
1.8000 1.8000 -.0000 -2 -1 4
1.6900 1.6900 -.0000 3 1 2
1.5200 1.5201 -.0001 2 2 3
A= 8.19528 DA= .00004
B= 5.757 DB= .003
C= 7.705 DC= .001
GAMMA= 86.132 DGAMMA= .006
BETA =114.38 DBETA = .01
ALPHA= 87.426 DALPHA= .009
V= 329.3
15. 38-0599
C9H33Cl5CuFe3N3O24
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
6.1540 6.1490 .0050 0 0 1
5.4960 5.4907 .0053 1 0 1
3.6200 3.6203 -.0003 1 2 0
3.5820 3.5829 -.0009 3 1 0
3.1180 3.1198 -.0018 1 2 1
2.8540 2.8524 .0016 2 2 1
2.7450 2.7453 -.0003 2 0 2
a=12.1963 b= 7.5824 c= 6.149
da= .0003 db= .0002 dc= .001
v= 568.6
16. 38-0802
Fe-Mg-Ti-O
Triklin
Dexp Dcal d(D) h k l
5.0200 5.0114 .0086 0 1 1
4.8800 4.8799 .0001 -1 0 2
4.3800 4.3798 .0002 1 -1 1
3.5000 3.4901 .0099 1 1 1
3.3000 3.2989 .0011 -2 0 2
2.8600 2.8595 .0005 -1 -1 3
2.7600 2.7590 .0010 -1 0 4
2.4500 2.4507 -.0007 2 1 1
2.4400 2.4400 .0000 -2 0 4
2.4100 2.4120 -.0020 -3 1 2
2.3700 2.3690 .0010 -3 0 1
2.2300 2.2297 .0003 2 0 3
A= 7.43494 DA= .00001
B= 5.953 DB= .001
C= 11.1803 DC= .0002
GAMMA=106.97 DGAMMA= .03
BETA =104.7549 DBETA = .0002
ALPHA= 86.4259 DALPHA= .0003
V= 457.7
17. 38-0911
FeBiSe4
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
9.2900 9.3337 -.0437 1 1 0
4.6900 4.6668 .0232 2 2 0
4.5610 4.5788 -.0178 3 1 1
3.5339 3.5412 -.0073 4 1 1
3.2022 3.2025 -.0003 -1 3 2
3.0178 3.0214 -.0036 1 4 1
2.7466 2.7462 .0004 5 0 3
2.2262 2.2271 -.0009 6 2 3
2.1260 2.1240 .0020 -6 1 1
2.0790 2.0790 .0000 -2 0 5
1.9005 1.9013 -.0008 -3 0 5
1.9005 1.9001 .0004 4 4 5
1.7906 1.7909 -.0003 -4 3 4
1.7062 1.7063 -.0001 6 5 0
1.5901 1.5895 .0006 -7 0 3
a= 14.78 b= 12.56 c= 12.783 beta=70.7
da=.01 db=/01 dc= .008 dbet= .1
V=2208
Triklin
Dexp Dcal d(D) h k l
9.2900 9.2927 -.0027 1 0 0
4.6900 4.6890 .0010 -1 1 1
4.5610 4.5623 -.0013 -1 0 1
3.5339 3.5348 -.0009 1 -1 1
3.2022 3.2020 .0002 3 -1 0
3.1578 3.1565 .0013 -1 2 0
3.0178 3.0183 -.0005 2 1 1
2.7466 2.7474 -.0008 -1 1 2
2.2262 2.2273 -.0011 1 -1 2
2.1260 2.1255 .0005 2 -1 2
2.0790 2.0783 .0007 -1 -1 2
1.9005 1.9004 .0001 0 3 2
1.7906 1.7905 .0001 1 -2 2
1.7062 1.7063 -.0001 0 -3 1
1.5901 1.5902 -.0001 -2 4 2
A= 9.830 DA= .001
B= 6.634 DB= .002
C= 5.642 DC= .002
GAMMA=108.8926 DGAMMA= .0004
BETA = 93.51 DBETA = .01
ALPHA= 72.11 DALPHA= .03
V= 330.9
18. 38-1915
C1.072H1.742ClFeN0.134Sn.134O
Triklin
Dexp Dcal d(D) h k l
13.9060 13.8924 .0136 1 0 0
11.4960 11.4878 .0082 0 1 0
9.0660 9.0643 .0017 0 0 1
7.9180 7.8986 .0194 0 -1 1
7.0530 7.0315 .0215 1 -1 1
5.7680 5.7616 .0064 2 1 1
5.3450 5.3421 .0029 0 -2 1
4.7090 4.7071 .0019 3 1 0
4.1400 4.1429 -.0029 -2 1 1
3.9240 3.9174 .0066 -1 2 1
3.7570 3.7574 -.0004 -3 0 1
3.5140 3.5157 -.0017 2 -2 2
A= 14.662 DA= .002
B= 11.958 DB= .004
C= 9.4627 DC= .0009
GAMMA= 78.30 DGAMMA= .01
BETA = 77.529 DBETA = .005
ALPHA= 98.134 DALPHA= .009
V= 1556.2
19. 38-1916
C0.6H1.6Cl1.1FeN0.2O
Triklin
Dexp Dcal d(D) h k l
11.8470 12.1348 -.2878 0 1 0
7.8850 7.8880 -.0030 1 1 0
5.9750 5.9756 -.0006 0 -1 1
3.6060 3.6034 .0026 0 -3 1
3.4090 3.4098 -.0008 2 -1 1
3.1950 3.1948 .0002 1 1 2
2.6910 2.6897 .0013 -1 3 1
2.5350 2.5352 -.0002 -1 -3 2
2.4460 2.4462 -.0002 2 5 0
2.3540 2.3547 -.0007 0 -5 1
2.3120 2.3127 -.0007 -2 -2 2
2.2180 2.2176 .0004 3 -1 2
A= 8.5784 DA= .0006
B= 12.809 DB= .001
C= 6.674 DC= .001
GAMMA= 72.287 DGAMMA= .009
BETA = 77.18 DBETA = .01
ALPHA= 91.69 DALPHA= .01
V= 677.4
20. 38-1917
C0.91H2.73ClFeN0.182
Triklin
Dexp Dcal d(D) h k l
12.0000 11.9198 .0802 0 1 0
7.0590 7.0598 -.0008 0 1 1
5.6930 5.7028 -.0098 0 -1 1
3.7680 3.7672 .0008 1 1 0
3.4100 3.4096 .0004 -1 -1 1
2.8760 2.8768 -.0008 1 3 0
2.7450 2.7438 .0012 -1 3 1
2.5250 2.5236 .0014 1 2 2
2.3840 2.3840 .0000 0 5 0
1.9060 1.9060 .0000 -2 1 1
1.8820 1.8824 -.0004 1 -1 3
1.7390 1.7391 -.0001 -1 6 2
A= 3.9112 DA= .0002
B= 12.274 DB= .001
C= 7.6322 DC= .0007
GAMMA= 87.558 DGAMMA= .009
BETA = 95.96 DBETA = .02
ALPHA= 76.767 DALPHA= .005
V= 353.9
21. 38-1918
C0.75H2.25ClFeN0.25OSn0.125
Triklin
Dexp Dcal d(D) h k l
11.5800 11.5510 .0290 1 0 0
9.4040 9.3922 .0118 -1 1 0
8.2150 8.2067 .0083 0 0 1
7.9640 7.9848 -.0208 1 1 0
7.5180 7.5117 .0063 -1 0 1
6.8960 6.8876 .0084 -1 1 1
6.1540 6.1551 -.0011 -1 -1 1
5.7710 5.7755 -.0045 2 0 0
4.4690 4.4729 -.0039 -2 2 1
4.0680 4.0649 .0031 -1 1 2
3.7680 3.7678 .0002 0 -3 1
3.4230 3.4221 .0009 0 -2 2
A= 12.0169 DA= .0005
B= 13.0920 DB= .0002
C= 8.4278 DC= .0001
GAMMA= 99.896 DGAMMA= .001
BETA =103.081 DBETA = .008
ALPHA= 86.370 DALPHA= .002
V=1272.
1. 39-0067
H2FeP3O10*0.3H2O
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
6.4200 6.4313 -.0113 1 0 2
4.6300 4.6239 .0061 1 0 3
4.3900 4.3910 -.0010 0 1 1
4.2700 4.2676 .0024 3 0 0
4.1000 4.1021 -.0021 3 0 1
3.5700 3.5713 -.0013 1 0 4
3.2600 3.2596 .0004 1 1 3
a=12.803 b= 4.5958 c=14.876
da= .002 db= .0002 dc= .001
v= 875.3
2. 39-0161
Na1.85H3.6{FeO2}5.45{SiO2}90.55
Triklin
Dexp Dcal d(D) h k l
11.0400 11.0360 .0040 1 0 0
9.9300 9.9247 .0053 -1 1 0
9.7100 9.7342 -.0242 0 1 1
7.4000 7.3994 .0006 -1 2 0
6.3200 6.3253 -.0053 -1 1 1
6.0100 6.0012 .0088 0 3 0
5.6800 5.6854 -.0054 2 1 1
5.5400 5.5430 -.0030 -1 3 0
4.6000 4.5949 .0051 0 -1 2
4.3500 4.3503 -.0003 0 3 2
4.2500 4.2489 .0011 2 3 1
4.0700 4.0681 .0019 -2 2 1
A= 12.1016 DA= .0001
B= 18.4522 DB= .0004
C= 11.2357 DC= .0003
GAMMA= 91.585 DGAMMA= .006
BETA = 66.623 DBETA = .006
ALPHA= 79.131 DALPHA= .003
V=2244
3. 39-0182
RbFeO7
Triklin
Dexp Dcal d(D) h k l
7.1700 7.1599 .0101 0 0 1
5.2600 5.2592 .0008 1 -1 1
3.9600 3.9592 .0008 -1 0 1
3.6700 3.6708 -.0008 1 2 0
3.5800 3.5799 .0001 0 0 2
3.4200 3.4189 .0011 0 -1 2
3.0800 3.0775 .0025 1 -2 2
2.9800 2.9820 -.0020 2 -1 2
2.6300 2.6296 .0004 2 -2 2
2.4800 2.4791 .0009 2 2 2
2.3100 2.3102 -.0002 2 -3 1
2.2200 2.2201 -.0001 -2 -2 1
A= 6.912 DA= .008
B= 9.075 DB= .002
C= 7.923 DC= .008
GAMMA= 91.88 DGAMMA= .07
BETA = 65.00 DBETA = .07
ALPHA= 94.76 DALPHA= .08
V= 448.86
4. 39-0374
NdFe{CN}6
Rombik
Groupa 33,49,62
Dexp. Dcal. d(D) h k l
5.9060 5.8734 .0326 1 1 0
4.7450 4.7330 .0120 2 1 0
3.7540 3.7601 -.0061 3 1 0
3.4660 3.4610 .0050 4 0 0
2.9450 2.9367 .0083 2 2 0
2.6560 2.6533 .0026 3 2 0
2.5430 2.5427 .0003 4 0 1
2.5430 2.5465 -.0035 5 1 0
2.4140 2.4148 -.0008 1 2 1
2.3090 2.3116 -.0026 2 2 1
2.3090 2.3074 .0016 6 0 0
2.1030 2.1058 -.0028 5 2 0
a=13.84 b= 6.4860 c= 3.748
da= .01 db= .0006 dc= .006
V= 336.5
5. 39-0379
Fe2+3{SO4}2*3H2O
Triklin
Dexp Dcal d(D) h k l
9.7000 9.7119 -.0119 1 0 0
7.2500 7.2473 .0027 1 1 0
7.1800 7.1817 -.0017 0 0 1
7.0400 7.0400 .0000 1 0 1
5.9600 5.9628 -.0028 1 -1 1
4.9900 4.9855 .0045 -1 -1 1
4.8700 4.8697 .0003 2 0 1
4.2700 4.2696 .0004 2 1 1
3.9200 3.9206 -.0006 -1 -2 1
3.5200 3.5200 .0000 2 0 2
3.2800 3.2794 .0006 1 1 2
3.1500 3.1492 .0008 3 -1 1
2.9600 2.9606 -.0006 3 0 2
2.7000 2.7002 -.0002 -3 -1 1
2.4900 2.4901 -.0001 -2 2 1
A= 10.3727 DA= .0006
B= 9.41143 DB= .00007
C= 7.835 DC= .001
GAMMA= 85.19 DGAMMA= .01
BETA = 71.692 DBETA = .003
ALPHA=102.71 DALPHA= .02
V= 698.6
6. 39-0383
PrFe{CN}6
Triklin
Dexp Dcal d(D) h k l
5.9250 5.9351 -.0101 0 0 1
4.7700 4.7728 -.0028 1 0 0
3.7770 3.7810 -.0040 0 -2 1
3.4800 3.4780 .0020 1 2 0
2.9500 2.9505 -.0005 1 2 1
2.6630 2.6638 -.0008 1 3 0
2.5490 2.5492 -.0002 -1 2 1
2.4230 2.4229 .0001 -1 0 2
2.3150 2.3148 .0002 1 -3 1
2.1080 2.1078 .0002 1 4 0
1.8770 1.8770 .0000 0 1 3
1.8760 1.8760 .0000 1 -1 3
A= 4.831 DA= .001
B= 8.937 DB= .002
C= 6.006 DC= .003
GAMMA= 82.751 DGAMMA= .006
BETA = 85.74 DBETA = .03
ALPHA= 97.07 DALPHA= .07
V= 254.2
7. 39-0384
EuFe{CN}6
Monoklin
Dexp Dcal d(D) h k l
5.8670 5.8643 .0027 1 1 0
4.7200 4.7247 -.0047 1 0 2
3.7390 3.7390 .0000 1 2 0
2.9220 2.9223 -.0003 1 1 3
2.6370 2.6372 -.0002 0 1 3
2.5250 2.5246 .0004 -1 2 2
2.4100 2.4101 -.0001 1 3 2
2.2950 2.2948 .0002 1 0 4
2.1510 2.1509 .0001 4 1 3
1.8590 1.8590 -.0000 -3 1 2
a= 9.2901 b= 8.406 c= 9.457 beta= 61.76
da= .0006 db=.001 dc= .003 dbeta=.02
V= 650.7
8. 39-0670
CsFeCl6
Triklin
Dexp Dcal d(D) h k l
5.8800 5.8797 .0003 0 1 1
5.1900 5.1892 .0008 -1 0 1
4.3700 4.3736 -.0036 0 -1 1
4.3200 4.3182 .0018 -2 1 0
3.9300 3.9338 -.0038 -1 -1 1
3.8400 3.8392 .0008 -2 0 1
3.7900 3.7901 -.0001 1 2 1
3.5700 3.5713 -.0013 -1 2 0
3.3600 3.3603 -.0003 2 2 1
2.9800 2.9804 -.0004 1 2 2
2.8800 2.8788 .0012 1 -2 1
2.8200 2.8182 .0018 -1 -2 1
2.6900 2.6898 .0002 4 0 0
2.2900 2.2901 -.0001 -4 1 1
2.1800 2.1804 -.0004 1 -2 2
A= 10.98 DA= .01
B= 8.083 DB= .007
C= 6.915 DC= .002
GAMMA= 84.29 DGAMMA= .09
BETA = 79.11 DBETA = .05
ALPHA= 72.32 DALPHA= .03
V= 572.9
9. 39-0738
SmFe{CN}6
Rombik
Groupa 61
Dexp. Dcal. d(D) h k l
5.8290 5.8529 -.0239 1 0 2
4.6950 4.6952 -.0002 2 0 2
3.7310 3.7187 .0123 3 0 2
3.4010 3.4052 -.0042 4 0 0
3.0180 3.0145 .0035 4 0 2
2.6370 2.6378 -.0008 3 0 4
2.5250 2.5285 -.0035 1 1 1
2.3980 2.3955 .0025 1 1 2
2.2920 2.2916 .0004 2 1 2
1.8590 1.8594 -.0004 6 0 4
a=13.62 b= 2.625 c=12.96
da= .02 db= .001 dc= .04
v= 464
Rombik
Groupa 33,49,62
Dexp. Dcal. d(D) h k l
5.8290 5.8407 -.0117 1 1 0
4.6950 4.6935 .0015 1 2 0
3.7310 3.7217 .0093 1 3 0
3.4010 3.4146 -.0136 0 4 0
3.0180 3.0190 -.0010 1 4 0
2.6370 2.6347 .0023 2 3 0
2.5250 2.5161 .0089 1 5 0
2.3980 2.3967 .0013 1 1 2
2.2920 2.2931 -.0011 1 2 2
1.8590 1.8608 -.0018 2 6 0
a= 6.461 b=13.6584 c= 5.256
da= .004 db= .0005 dc= .002
v= 463.9
10. 39-0824
Al86Fe14
Tetragon
Grupa 75
Dexp. Dcal. d(D) h k l
2.1100 2.1116 -.0016 2 1 0
1.4900 1.4900 .0000 0 0 3
1.2600 1.2600 -.0000 2 0 3
1.0800 1.0799 .0001 3 3 1
a= 4.7216 c= 4.4699
da= .0002 dc= .0001
v= 99.65
11. 39-0930
FeSbSe
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.1380 7.1360 .0020 1 1 0
3.7600 3.7591 .0009 2 0 2
3.5200 3.5198 .0002 2 1 2
3.1140 3.1143 -.0003 -3 1 1
2.7740 2.7742 -.0002 0 1 4
2.2475 2.2475 .0000 2 4 0
2.1450 2.1456 -.0006 -1 3 4
1.9230 1.9228 .0002 -4 3 2
1.8760 1.8758 .0002 -1 3 5
1.8060 1.8058 .0002 -4 2 4
1.7690 1.7690 .0000 2 5 2
1.6620 1.6622 -.0002 -5 1 4
1.5590 1.5591 -.0001 5 4 1
a= 10.165 b= 10.024 c= 11.5527 beta= 91.70
da=.002 db=.002 dc=.0003 dbeta=.01
V= 1176.7
Triklin
Dexp Dcal d(D) h k l
7.1380 7.1417 -.0037 1 0 0
3.7600 3.7588 .0012 0 -1 1
3.5200 3.5206 -.0006 -2 0 1
3.1140 3.1130 .0010 -1 1 1
2.7740 2.7731 .0009 -2 1 0
2.2475 2.2449 .0026 -3 -1 1
2.1450 2.1453 -.0003 -3 0 2
1.9230 1.9231 -.0001 -1 2 1
1.8760 1.8760 .0000 -4 0 1
1.8060 1.8059 .0001 0 0 3
1.7690 1.7694 -.0004 -4 -1 1
1.6620 1.6622 -.0002 -3 -2 2
1.5590 1.5591 -.0001 4 0 1
A= 7.5204 DA= .0002
B= 4.50747 DB= .00001
C= 5.7895 DC= .0002
GAMMA= 86.45 DGAMMA= .01
BETA =108.2662 DBETA = .0001
ALPHA=100.42 DALPHA= .01
V=183.3
12. 39-0953
Fe{ReO4}3*2H2O
Triklin
Dexp Dcal d(D) h k l
3.6700 3.6705 -.0005 -1 2 0
3.5300 3.5308 -.0008 1 2 0
3.1600 3.1563 .0037 0 3 0
3.0200 3.0162 .0038 1 2 1
2.8000 2.7982 .0018 2 0 1
2.7700 2.7689 .0011 2 0 0
2.5800 2.5775 .0025 -1 2 1
2.3100 2.3098 .0002 2 2 1
2.1300 2.1277 .0023 -2 0 1
2.0800 2.0830 -.0030 -2 -1 1
1.9400 1.9390 .0010 -1 -4 1
1.8200 1.8206 -.0006 1 -5 1
A= 5.8372 DA= .0001
B= 9.54662 DB= .00009
C= 5.05533 DC= .00003
GAMMA= 94.3114 DGAMMA= .0008
BETA = 71.7098 DBETA = .0001
ALPHA= 96.9693 DALPHA= .0002
V=265.6
13. 39-0954
Fe{TcO4}3
Triklin
Dexp Dcal d(D) h k l
4.1200 4.1249 -.0049 0 1 1
3.8600 3.8557 .0043 -1 0 1
3.6500 3.6455 .0045 0 -1 1
3.3100 3.3091 .0009 1 -1 1
3.0700 3.0689 .0011 -1 2 1
2.8100 2.8095 .0005 -2 0 1
2.6900 2.6899 .0001 2 0 1
2.5900 2.5912 -.0012 2 -1 1
2.4300 2.4294 .0006 -1 -2 1
2.3300 2.3318 -.0018 2 2 0
2.2500 2.2502 -.0002 0 0 2
2.1600 2.1600 -.0000 -3 1 1
A= 7.099 DA= .003
B= 7.7721 DB= .0005
C= 4.558 DC= .003
GAMMA=101.92 DGAMMA= .02
BETA = 94.29 DBETA = .01
ALPHA= 81.28 DALPHA= .03
V=242.9
14. 39-0988
Ba4Cu4FeF19
Triklin
Dexp Dcal d(D) h k l
4.4780 4.4781 -.0001 1 1 0
4.1470 4.1452 .0018 1 1 1
4.0040 4.0048 -.0008 -1 -1 2
3.8630 3.8567 .0063 0 1 2
3.4670 3.4677 -.0007 -1 -1 3
3.3510 3.3485 .0025 -1 0 4
3.2340 3.2359 -.0019 2 0 0
3.1670 3.1689 -.0019 1 -1 1
3.0710 3.0719 -.0009 -1 1 2
2.9600 2.9619 -.0019 1 0 4
2.8350 2.8350 .0000 -2 -1 3
2.7430 2.7420 .0010 2 1 2
A= 6.9013 DA= .0005
B= 4.8649 DB= .0004
C= 14.5272 DC= .0003
GAMMA= 71.381 DGAMMA= .001
BETA = 98.966 DBETA = .001
ALPHA= 93.520 DALPHA= .002
V=456.4
15. 39-1758
C20H40FeMoN4O2S8*H2O
Triklin
Dexp Dcal d(D) h k l
12.7200 12.7097 .0103 0 1 0
11.8600 11.7905 .0695 1 0 0
10.6500 10.6508 -.0008 -1 1 0
9.3100 9.3113 -.0013 -1 0 1
7.8300 7.8279 .0021 1 -1 2
6.2200 6.2225 -.0025 -2 1 0
5.1000 5.1010 -.0010 0 -2 3
4.4600 4.4605 -.0005 -2 1 2
4.0600 4.0600 -.0000 3 -2 2
3.6700 3.6698 .0002 1 -4 2
3.2300 3.2299 .0001 -3 -1 2
3.0700 3.0701 -.0001 -2 -3 1
A= 12.7844 DA= .0007
B= 14.763 DB= .004
C= 17.546 DC= .001
GAMMA=112.618 DGAMMA= .009
BETA = 78.984 DBETA = .007
ALPHA=113.62 DALPHA= .02
V=2798
16. 39-1759
C20H36FeMoN4O2S8*H2O
Triklin
Dexp Dcal d(D) h k l
9.8200 9.8249 -.0049 1 0 0
8.5800 8.5819 -.0019 1 -1 0
6.1900 6.1911 -.0011 -1 0 1
5.4400 5.4294 .0106 1 1 0
5.1200 5.1213 -.0013 1 -2 1
4.9500 4.9566 -.0066 -1 -1 1
4.3900 4.3918 -.0018 0 -1 2
3.7800 3.7797 .0003 -1 0 2
3.4900 3.4900 -.0000 -1 -2 1
3.1000 3.0998 .0002 -3 1 1
3.0900 3.0902 -.0002 3 -1 2
2.8000 2.7999 .0001 4 -2 1
2.7000 2.7003 -.0003 3 1 0
2.4900 2.4900 .0000 3 -1 3
1.8700 1.8699 .0001 -1 -3 4
A= 11.234 DA= .001
B= 10.427 DB= .009
C= 9.190 DC= .008
GAMMA=118.78 DGAMMA= .07
BETA = 75.846 DBETA = .009
ALPHA=113.25 DALPHA= .07
V= 865.1
17. 39-1760
C24H44FeMoN4O2S8*H2O
Triklin
Dexp Dcal d(D) h k l
11.7800 11.8219 -.0419 1 0 0
9.9300 9.9347 -.0047 0 1 0
9.1100 9.1145 -.0045 0 1 1
8.0400 8.0253 .0147 -1 0 1
7.5600 7.5630 -.0030 0 -1 1
5.9100 5.9110 -.0010 2 0 0
5.5400 5.5424 -.0024 2 1 1
4.9000 4.8997 .0003 0 0 3
4.6000 4.6028 -.0028 1 2 2
4.4200 4.4182 .0018 -1 2 1
3.9700 3.9712 -.0012 -1 2 2
3.5300 3.5299 .0001 -3 0 1
2.9800 2.9795 .0005 2 3 3
1.8900 1.8907 -.0007 0 -4 4
A= 12.552 DA= .001
B= 10.178 DB= .003
C= 15.922 DC= .004
GAMMA= 84.880 DGAMMA= .008
BETA = 70.40 DBETA = .01
ALPHA= 77.502 DALPHA= .00
V=1870