1. 41-0524
CsFeHP3O10
Triklin
Dexp Dcal d(D) h k l
6.1500 6.1523 -.0023 0 0 1
4.9600 4.9614 -.0014 0 -1 1
4.4200 4.4270 -.0070 1 0 1
4.3200 4.3220 -.0020 -1 -1 1
4.2800 4.2717 .0083 -1 0 1
3.7400 3.7447 -.0047 -1 1 0
3.5200 3.5200 -.0000 1 -1 1
3.0900 3.0898 .0002 0 -1 2
3.0800 3.0762 .0038 0 0 2
3.0000 3.0021 -.0021 -1 -2 1
2.9800 2.9758 .0042 1 2 0
2.9500 2.9519 -.0019 -1 1 1
A= 6.401 DA= .006
B= 6.316 DB= .009
C= 6.399 DC= .003
GAMMA= 73.84 DGAMMA= .06
BETA = 92.47 DBETA = .04
ALPHA=105.84 DALPHA= .03
V= 238.9
2. 41-0759
Fe3Te2
Triklin
Dexp Dcal d(D) h k l
3.7200 3.7198 .0002 1 1 1
3.6400 3.6419 -.0019 1 -1 1
3.3300 3.3288 .0012 1 2 0
2.9600 2.9599 .0001 1 2 1
2.8900 2.8886 .0014 2 1 1
2.5300 2.5310 -.0010 2 2 0
2.4300 2.4289 .0011 2 2 1
2.2700 2.2684 .0016 1 -3 1
2.2300 2.2308 -.0008 3 1 1
2.1700 2.1701 -.0001 0 0 2
2.0950 2.0948 .0002 -3 2 1
1.9800 1.9802 -.0002 2 -1 2
1.6950 1.6951 -.0001 3 -4 1
A= 8.057 DA= .008
B= 8.658 DB= .004
C= 4.447 DC= .002
GAMMA=103.13 DGAMMA= .06
BETA = 81.95 DBETA = .05
ALPHA= 82.4909 DALPHA= .0007
V= 294.8
3. 41-0960
FeSb2F12
Triklin
Dexp Dcal d(D) h k l
4.9800 4.9796 .0004 1 0 0
3.7000 3.6999 .0001 -1 1 1
3.5500 3.5496 .0004 -1 -1 1
2.9000 2.8995 .0006 -1 -1 2
2.2600 2.2598 .0002 -1 3 0
2.0600 2.0600 .0000 -2 1 2
1.7800 1.7800 .0000 2 0 3
1.6800 1.6799 .0001 0 -3 4
1.6000 1.6000 .0000 -2 3 2
1.5200 1.5200 -.0000 -1 -1 5
1.4600 1.4600 .0000 -3 2 2
1.4000 1.4000 -.0000 0 -5 2
1.3600 1.3600 .0000 2 -1 5
A= 5.0722 DA= .0001
B= 7.2000 DB= .0003
C= 8.028 DC= .001
GAMMA=100.872 DGAMMA= .004
BETA = 89.144 DBETA = .009
ALPHA=102.25 DALPHA= .01
V= 281.28
4. 41-0999
Al13Cu4Fe3
Triklin
Dexp Dcal d(D) h k l
9.8200 9.8197 .0003 1 0 0
8.9600 8.9657 -.0057 1 1 1
5.5250 5.5267 -.0017 1 -1 1
4.0600 4.0589 .0011 2 -1 1
3.9670 3.9647 .0023 -1 1 2
3.7490 3.7494 -.0004 1 2 3
3.6960 3.6963 -.0003 -2 1 1
3.5140 3.5136 .0004 3 1 2
3.4130 3.4122 .0008 1 0 3
3.3190 3.3198 -.0008 -1 3 1
3.2460 3.2469 -.0009 2 3 0
2.7990 2.7986 .0004 1 4 0
A= 10.967 DA= .001
B= 12.611 DB= .003
C= 11.476 DC= .002
GAMMA= 70.43 DGAMMA= .01
BETA = 65.61 DBETA = .01
ALPHA= 63.150 DALPHA= .009
V= 1267.9
5. 41-1000
Fe2Mo3
Triklin
Dexp Dcal d(D) h k l
6.4114 6.4209 -.0095 1 0 0
5.4636 5.4587 .0049 0 -1 1
3.9026 3.8930 .0096 1 1 1
3.1894 3.1842 .0052 1 2 0
3.1573 3.1550 .0023 1 0 2
2.7557 2.7556 .0001 -1 1 1
2.4639 2.4592 .0047 0 1 2
2.2015 2.2020 -.0005 -1 -1 3
2.0944 2.0935 .0009 2 3 0
1.9156 1.9148 .0008 2 -1 3
1.7799 1.7786 .0013 -2 2 0
1.6193 1.6182 .0011 -3 -3 3
A= 7.1602 DA= .0001
B= 6.7777 DB= .0003
C= 7.0742 DC= .0007
GAMMA= 65.82 DGAMMA= .01
BETA = 89.04 DBETA = .04
ALPHA=110.02 DALPHA= .02
V=289.6
6. 41-1220
Fe0.25Mn1.4C0.5
Triklin
Dexp Dcal d(D) h k l
5.7915 5.7907 .0008 0 1 0
4.3950 4.3939 .0011 2 1 0
2.3481 2.3477 .0004 1 1 2
2.2765 2.2762 .0003 -1 1 2
2.0351 2.0354 -.0003 -1 -1 2
2.0115 2.0118 -.0003 1 -1 2
1.9489 1.9496 -.0007 1 3 0
1.7606 1.7608 -.0002 4 2 2
1.5039 1.5038 .0001 5 -1 2
1.4356 1.4357 -.0001 8 1 0
1.2672 1.2671 .0001 7 -2 1
1.2361 1.2361 -.0000 -5 -1 3
A= 11.56221 DA= .00002
B= 5.97212 DB= .00003
C= 4.8362 DC= .0002
GAMMA= 81.3863 DGAMMA= .0008
BETA = 87.180 DBETA = .002
ALPHA= 78.444 DALPHA= .002
V=323.4
7. 41-1223
Fe0.54Mo0.73
Triklin
Dexp Dcal d(D) h k l
2.4874 2.4749 .0125 1 -1 2
2.4431 2.4450 -.0019 2 2 1
2.3020 2.2921 .0099 2 -1 2
2.2084 2.2090 -.0006 -4 2 0
2.1352 2.1366 -.0014 -4 0 1
2.0790 2.0781 .0009 4 1 0
2.0276 2.0271 .0005 -3 2 2
1.9787 1.9784 .0003 2 3 0
1.9110 1.9107 .0003 -5 1 0
1.5620 1.5620 .0000 3 1 3
1.4341 1.4350 -.0009 2 3 3
1.3030 1.3040 -.0010 6 1 2
A= 9.55733 DA= .00005
B= 7.595 DB= .002
C= 5.6314 DC= .0002
GAMMA=103.58 DGAMMA= .01
BETA = 91.158 DBETA = .005
ALPHA= 82.628 DALPHA= .005
V=396
8. 41-1224
Cr1.36Fe0.52
Rombik
Groupa 32,55
Dexp. Dcal. d(D) h k l
3.9820 3.9800 .0020 0 0 1
3.9126 3.9009 .0117 1 1 0
2.0322 2.0336 -.0014 0 4 1
1.4405 1.4406 -.0001 2 1 2
1.1757 1.1759 -.0002 1 3 3
1.0820 1.0819 .0001 1 7 2
1.0620 1.0619 .0001 2 3 3
1.0136 1.0136 -.0000 4 3 0
a= 4.282 b= 9.4628 c= 3.9800
da= .002 db= .0001 dc= .0001
V= 161.2
9. 41-1226
Al0.39Fe0.85Si0.14Ti0.80
Triklin
Dexp. Dcal. d(D) h k l
4.0595 4.0582 .0013 1 -1 0
3.9113 3.9121 -.0008 -1 0 1
2.4555 2.4581 -.0026 -5 -1 0
2.3890 2.3894 -.0004 5 -1 0
2.2571 2.2574 -.0003 5 1 1
2.2326 2.2329 -.0003 2 2 1
2.1547 2.1555 -.0008 -6 -1 0
2.1402 2.1409 -.0007 1 1 2
2.1281 2.1291 -.0010 0 -2 0
2.0991 2.0983 .0008 1 -2 0
2.0868 2.0874 -.0006 3 -1 1
2.0611 2.0621 -.0010 -2 -2 0
A= 14.833 DA= .005
B= 4.765 DB= .002
C= 4.428 DC= .001
GAMMA= 91.34 DGAMMA= .05
BETA = 96.44 DBETA = .03
ALPHA= 63.38 DALPHA= .03
V= 277.9
10. 41-1388
Fe2+3{Mo+6O4}3*8H2O
Triklin
Dexp Dcal d(D) h k l
9.8064 9.7901 .0163 1 0 0
8.2380 8.2507 -.0127 -1 1 0
7.5507 7.5503 .0004 1 0 1
6.6563 6.6337 .0226 1 1 0
6.0413 6.0329 .0084 1 1 1
5.3041 5.3079 -.0038 -1 2 0
4.9292 4.9260 .0032 -1 1 2
4.8047 4.8063 -.0016 0 -1 2
4.4578 4.4613 -.0035 -2 0 1
4.2975 4.3046 -.0071 0 2 2
4.1582 4.1508 .0074 2 1 0
3.9378 3.9430 -.0052 -1 -2 1
A= 10.027 DA= .003
B= 11.383 DB= .009
C= 11.62 DC= .01
GAMMA=102.41 DGAMMA= .03
BETA = 90.357 DBETA = .008
ALPHA= 81.57 DALPHA= .09
V= 1280.8
11. 41-1401
Rb4FeSb6S13
Monoklin
GRUPA 3,6,10
Dexp. Dcal. d(D) h k l
4.6657 4.6759 -.0102 0 1 2
4.2118 4.2164 -.0046 2 0 0
3.7842 3.7887 -.0045 1 2 1
3.2871 3.2885 -.0014 0 3 0
3.0098 3.0117 -.0019 -2 2 2
2.7341 2.7384 -.0043 -1 0 4
2.6488 2.6551 -.0063 0 0 4
2.4880 2.4874 .0006 -2 3 2
2.2319 2.2320 -.0001 -3 0 4
2.0210 2.0210 -.0000 3 3 1
1.9212 1.9212 .0000 1 5 0
1.8407 1.8408 -.0001 -1 5 2
a= 8.715 b= 9.865 c= 10.98 beta= 104.62
da=.009 db=.001 dc=.02 dbet=.04
V=910.4
12. 41-1437
NaCa2{Fe6{PO4}2{PMo11O39}{OH,Cl}10}*33H2O
Triklin
Dexp Dcal d(D) h k l
11.5600 11.5391 .0209 -1 1 0
9.4600 9.4692 -.0092 1 1 0
8.7700 8.7649 .0051 0 0 1
5.4360 5.4328 .0032 0 2 1
4.7170 4.7187 -.0017 -3 1 1
4.3380 4.3366 .0014 3 0 1
3.6760 3.6748 .0012 0 -2 2
3.5420 3.5397 .0023 -3 1 2
3.1180 3.1177 .0003 2 -4 1
2.9900 2.9911 -.0011 -4 2 2
2.8290 2.8295 -.0005 -1 -1 3
2.7280 2.7278 .0002 5 1 1
A= 16.157 DA= .001
B= 14.0044 DB= .0004
C= 8.8056 DC= .0001
GAMMA=101.481 DGAMMA= .003
BETA = 95.4784 DBETA = .0003
ALPHA= 88.2910 DALPHA= .0003
V=1944.7
13. 41-1438
NaAl14{F7+3{PO4}5{P+5Mo12+6O40}{OH}16}*56H2O
Triklin
Dexp Dcal d(D) h k l
14.3600 14.4405 -.0805 1 0 0
12.9000 12.8761 .0239 1 1 0
10.1800 10.2054 -.0254 0 0 1
9.4800 9.4543 .0257 0 1 1
8.8100 8.8523 -.0423 -1 0 1
7.9800 7.9665 .0135 -1 -1 1
7.3800 7.3905 -.0105 2 1 0
7.1600 7.1674 -.0074 0 2 1
6.5600 6.5585 .0015 1 -1 1
6.2700 6.2691 .0009 -1 -2 1
5.4660 5.4652 .0008 2 2 1
5.0030 5.0044 -.0014 -1 0 2
A= 15.022 DA= .006
B= 18.07 DB= .01
C= 10.367 DC= .009
GAMMA= 75.56 DGAMMA= .06
BETA = 94.80 DBETA = .05
ALPHA= 82.60 DALPHA= .09
V=2679
14. 41-1538
C14H12FeN2O8*xH2O
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
7.1300 7.1492 -.0192 2 0 1
5.7900 5.7943 -.0043 0 1 1
5.6000 5.5835 .0165 3 0 0
4.2100 4.2051 .0049 3 1 0
4.0200 4.0206 -.0006 3 1 1
3.4000 3.3998 .0002 2 1 3
3.0900 3.0889 .0011 4 0 3
3.0600 3.0603 -.0003 1 2 1
3.0100 3.0105 -.0005 5 0 2
a=16.750 b= 6.392 c=13.7243
da= .005 db= .001 dc= .00073
v=1469
15. 41-1539
С21H31FeN7O17S2*10H2O
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
5.2100 5.2190 -.0090 2 0 1
4.3300 4.3325 -.0025 3 0 0
3.8800 3.8833 -.0033 3 0 1
3.8300 3.8230 .0070 2 1 0
3.1200 3.1188 .0012 1 1 2
3.0500 3.0465 .0035 4 0 1
3.0000 3.0007 -.0007 3 1 1
a=12.997 b= 4.727 c= 8.758
da= .002 db= .001 dc= .002
v= 538.2
16. 41-1587
C26H38FeO12S2
Triklin
Dexp Dcal d(D) h k l
9.6123 9.6110 .0013 1 0 0
6.6173 6.6162 .0011 1 1 0
5.2833 5.2821 .0012 -1 0 1
4.6562 4.6543 .0019 -1 -1 1
4.4748 4.4736 .0012 1 2 0
3.9480 3.9472 .0008 2 1 1
3.6245 3.6255 -.0010 -2 1 1
3.4903 3.4905 -.0002 2 -3 1
3.2927 3.2934 -.0007 1 3 0
3.2364 3.2357 .0007 -1 3 1
3.1491 3.1490 .0001 -3 2 0
2.7401 2.7402 -.0001 -3 1 1
2.5952 2.5953 -.0001 0 3 2
2.4194 2.4194 -.0000 0 1 3
A= 10.3899 DA= .0006
B= 12.01 DB= .01
C= 7.923 DC= .003
GAMMA=106.14 DGAMMA= .09
BETA = 72.674 DBETA = .002
ALPHA= 98.7 DALPHA= .1
V= 904.3
17. 41-1804
{C10H8Fe}n
Rombik
Grupa 16
Dexp. Dcal. d(D) h k l
8.7000 8.7371 .0371 0 0 1
5.3700 5.3683 -.0017 2 0 1
4.3900 4.3938 .0038 1 1 0
4.1000 4.0997 -.0003 0 1 1
a= 13.61 b= 4.642 c=8.74
da=.04 db=.005 dc=.04
V= 552
18. 41-1805
{C10H8Fe*C2.16H0.72N0.72}n
Triklin
Dexp Dcal d(D) h k l
14.7000 14.7012 -.0012 1 0 0
8.7000 8.6991 .0009 1 1 0
7.3400 7.3403 -.0003 1 1 1
6.5100 6.5107 -.0007 -1 1 2
5.7500 5.7507 -.0007 -1 2 1
5.3700 5.3699 .0001 1 -1 1
5.0100 5.0100 -.0000 1 2 0
4.3900 4.3900 .0000 -3 -1 1
4.1000 4.0999 .0001 -2 2 3
3.8900 3.8899 .0001 -1 3 2
A= 15.9437 DA= .0004
B= 11.837 DB= .009
C= 13.106 DC= .01
GAMMA= 98.55 DGAMMA= .02
BETA =112.70 DBETA = .05
ALPHA= 62.88 DALPHA= .07
V= 2029.9
19. 41- 1806
{C10H8Fe*C9.72H3.24N3.24}n
Triklin
Dexp Dcal d(D) h k l
14.7000 14.6999 .0001 1 0 0
8.7000 8.6998 .0002 0 1 1
7.3400 7.3378 .0022 0 -1 1
6.5100 6.5146 -.0046 0 2 1
5.7500 5.7531 -.0031 1 2 0
5.3700 5.3704 -.0004 -2 3 1
5.0100 5.0100 .0000 -3 1 1
4.3900 4.3899 .0001 1 -3 1
3.8900 3.8901 -.0001 3 -3 1
3.6500 3.6498 .0002 -4 4 1
3.5400 3.5400 .0000 4 -1 1
3.3800 3.3797 .0003 2 3 1
3.1700 3.1701 -.0001 -5 1 0
A= 16.779 DA= .001
B= 17.6046 DB= .0003
C= 9.616 DC= .002
GAMMA=118.637 DGAMMA= .002
BETA = 99.787 DBETA = .005
ALPHA= 75.82 DALPHA= .01
V= 2412.6
1. 42-0424
Fe2O3*(OSiO2*H2O
Triklin
Dexp Dcal d(D) h k l
9.5092 9.4764 .0328 0 1 1
7.0811 7.0793 .0018 1 0 1
6.9700 6.9659 .0041 0 -1 1
6.5830 6.5895 -.0065 0 0 2
5.7909 5.7896 .0013 1 -1 1
5.6802 5.6553 .0249 1 1 0
4.9552 4.9475 .0077 1 1 2
4.8478 4.8440 .0038 0 -1 2
4.7703 4.7811 -.0108 -1 -1 1
4.5753 4.5776 -.0023 0 1 3
4.2402 4.2376 .0026 0 -2 1
3.9864 3.9867 -.0003 1 1 3
A= 8.022 DA= .004
B= 10.617 DB= .007
C= 13.878 DC= .004
GAMMA= 99.9 DGAMMA= .1
BETA = 87.39 DBETA = .07
ALPHA= 72.69 DALPHA= .03
V= 1105.8
2. 42-0762
As2Fe81P17
Tetragon
Groupa 103,124
Dexp. Dcal. d(D) h k l
2.0560 2.0552 .0008 2 1 2
1.8070 1.8069 .0001 3 2 1
1.7640 1.7654 -.0014 3 0 2
1.5790 1.5787 .0003 2 1 3
1.2810 1.2805 .0005 5 2 0
1.1490 1.1493 -.0003 6 0 0
a= 6.8955 c= 5.513
da= .0004 dc= .001
V= 262.16
3. 42-0763
Fe83P17
Geksagon
Groupa 144,145,151,152,153,154,171,172,
180,181
Dexp. Dcal. d(D) h k l
1.7580 1.7578 .0002 1 1 1
1.5290 1.5294 -.0004 1 0 2
1.1290 1.1289 .0001 0 0 3
a= 4.113 c= 3.387
da=.001 dc=.001
V= 49.62
4. 42-0860
Al65Cu20Fe15
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
2.4383 2.4393 -.0010 0 3 0
2.2692 2.2664 .0028 1 3 0
1.8291 1.8295 -.0004 0 4 0
1.7823 1.7838 -.0015 3 2 0
1.5198 1.5202 -.0004 0 0 2
1.5002 1.4997 .0005 4 1 0
1.4041 1.4038 .0003 0 2 2
a= 6.12908 b= 7.31793 c= 3.0403
da= .00008 db= .00006 dc= .0003
V= 136.36
5. 42-1043
Al65Cu20Fe15
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
3.7350 3.7404 -.0054 0 1 1
3.2500 3.2498 .0002 -1 1 1
2.4450 2.4447 .0003 1 2 0
2.1080 2.1076 .0004 -2 0 1
2.0000 1.9984 .0016 -2 1 1
1.4530 1.4529 .0001 -1 4 1
1.4170 1.4166 .0004 2 2 1
1.2430 1.2430 .0000 2 1 2
a= 4.217 b= 6.291 c= 5.0495 beta= 112.88
da= .002 db=.003 dc=.0007 dbet=.01
V=112.9
6. 42-1067
Fe4Cu3
Rombik
Groupa 33,49,62
Dexp. Dcal. d(D) h k l
4.7300 4.7356 -.0056 0 1 1
3.0500 3.0545 -.0045 1 2 0
2.5100 2.5046 .0054 2 2 0
2.1430 2.1349 .0081 1 3 0
2.0370 2.0347 .0023 1 3 1
1.8300 1.8228 .0072 4 1 0
1.7300 1.7276 .0024 3 2 2
1.6700 1.6698 .0002 3 3 0
1.5300 1.5272 .0028 2 4 0
1.4800 1.4794 .0006 4 2 2
1.4400 1.4426 -.0026 4 3 0
1.3400 1.3387 .0013 3 3 3
a= 7.5791 b= 6.675 c= 6.719
da= .0002 db= .008 dc= .007
V= 339.9
7. 42-1118
AlCl3-FeCl3*C
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
7.4267 7.4268 -.0001 1 0 0
5.5700 5.5700 .0000 0 1 0
4.4560 4.4560 -.0000 1 1 0
3.7133 3.7134 -.0001 2 0 0
3.1829 3.1828 .0001 1 0 1
2.7850 2.7850 .0000 0 2 0
2.4756 2.4756 .0000 3 0 0
2.2280 2.2280 .0000 2 2 0
2.0255 2.0255 .0000 3 0 1
1.8567 1.8567 .0000 0 3 0
1.7138 1.7138 .0000 1 0 2
1.5914 1.5914 .0000 2 0 2
a= 7.42683 b= 5.56996 c= 3.52268
da= .00005 db= .00003 dc= .00008
V= 145.72
8. 42-1119
AlCl3*FeCl3*C
Rombik
Grupa 16
Dexp. Dcal. d(D) h k l
9.4933 9.4933 -.0000 0 1 0
7.1200 7.1200 .0000 1 0 0
5.6960 5.6960 .0000 1 1 0
4.7467 4.7466 -.0001 0 2 0
4.0686 4.0686 .0000 0 1 1
3.5600 3.5600 .0000 2 0 0
3.1644 3.1644 .0000 0 3 0
2.8480 2.8480 .0000 2 2 0
2.3733 2.3733 .0000 0 4 0
2.1908 2.1908 .0000 0 1 2
2.0343 2.0343 .0000 0 2 2
1.8987 1.8987 -.0000 0 5 0
1.7800 1.7800 .0000 4 0 0
1.6753 1.6753 -.0000 2 5 0
1.5822 1.5822 .0000 0 6 0
a= 7.12003 b= 9.4933 c= 4.50314
da= .00003 db=.0001 dc=.00001
V= 304.38
9. 42-1517
C40H24ClFeN8
Triklin
Dexp Dcal d(D) h k l
13.3100 13.3208 -.0108 1 0 0
11.4200 11.4253 -.0053 0 -1 0
9.1800 9.1874 -.0074 0 -1 1
8.6900 8.6951 -.0051 1 0 1
6.8400 6.8425 -.0025 -1 0 1
6.1100 6.1098 .0002 0 1 1
5.5400 5.5431 -.0031 2 2 0
5.1900 5.1713 .0187 -2 -2 1
4.8600 4.8604 -.0004 -2 0 1
4.5700 4.5665 .0035 -1 -1 2
4.1200 4.1134 .0066 1 3 0
3.9300 3.9283 .0017 3 2 1
A= 14.578 DA= .003
B= 13.177 DB= .003
C= 10.1484 DC= .0001
GAMMA= 70.73 DGAMMA= .01
BETA = 83.51 DBETA = .02
ALPHA=109.48 DALPHA= .05
V= 1679.4
10. 42-1834
C35H26Fe2O16*5H2O
Triklin
Dexp Dcal d(D) h k l
9.8100 9.8119 -.0019 1 0 0
9.3600 9.3598 .0002 0 1 0
8.3060 8.2908 .0152 -1 -1 1
7.5300 7.5256 .0044 0 1 1
5.3960 5.3787 .0173 0 -1 2
4.9840 4.9797 .0043 1 -1 1
4.6070 4.5962 .0108 -1 1 2
4.5150 4.5152 -.0002 2 1 1
4.3114 4.3176 -.0062 -1 -1 3
4.1454 4.1454 .0000 -2 -2 2
3.8995 3.8991 .0004 0 1 3
3.7377 3.7381 -.0004 -2 0 3
A= 11.224 DA= .005
B= 10.373 DB= .001
C= 13.52 DC= .02
GAMMA= 64.49 DGAMMA= .01
BETA =106.35 DBETA = .04
ALPHA= 97.89 DALPHA= .05
V= 1363.4
42-1905
C38H80Br6Mo2N4O6S6
Triklin
Dexp Dcal d(D) h k l
11.6320 11.7048 -.0728 1 0 0
10.6140 10.5758 .0382 0 1 0
10.0140 10.0459 -.0319 1 0 1
8.3457 8.3360 .0097 0 -1 1
7.4367 7.4510 -.0143 1 1 0
6.7839 6.7693 .0146 -1 1 1
6.2152 6.2028 .0124 -1 -1 1
5.7535 5.7622 -.0087 0 -1 2
5.3466 5.3463 .0003 2 -1 1
4.9828 4.9827 .0001 0 2 1
4.6829 4.6801 .0028 2 -1 2
4.4067 4.4067 .0000 2 1 2
4.1559 4.1569 -.0010 -2 2 0
3.8502 3.8506 -.0004 -2 2 1
A= 12.032 DA= .006
B= 10.640 DB= .001
C= 14.258 DC= .004
GAMMA= 96.17 DGAMMA= .03
BETA = 78.16 DBETA = .02
ALPHA= 89.98 DALPHA= .02
V= 1775.2
11. 42-1927
C42H42As2Cl6Fe2O2*4H2O
Triklin
Dexp Dcal d(D) h k l
7.6300 7.6244 .0056 0 0 1
6.7400 6.7440 -.0040 1 1 0
6.1100 6.1108 -.0008 -1 1 0
4.9700 4.9702 -.0002 2 0 0
4.5000 4.5010 -.0010 2 0 1
2.6200 2.6200 -.0000 -1 3 0
2.3700 2.3706 -.0006 0 2 2
2.2300 2.2295 .0005 -1 2 2
2.0300 2.0300 -.0000 -4 -1 2
1.7400 1.7400 -.0000 -5 1 1
1.6100 1.6100 .0000 6 -1 2
1.4500 1.4494 .0006 4 -5 3
1.3200 1.3200 .0000 7 3 0
A= 10.0737 DA= .0002
B= 9.2129 DB= .0002
C= 8.4528 DC= .0001
GAMMA= 87.825 DGAMMA= .002
BETA = 82.6261 DBETA = .0008
ALPHA=114.026 DALPHA= .009
V=707.9
12. 42-1929
C21H21AsCl3FeO13*0.25C6H6*H2O
Triklin
Dexp Dcal d(D) h k l
8.6600 8.6561 .0039 1 0 0
6.8800 6.8787 .0013 0 -1 1
5.3500 5.3568 -.0068 1 0 2
4.8400 4.8590 -.0190 0 -1 2
4.6400 4.6445 -.0045 -1 -1 1
4.3000 4.3012 -.0012 -1 1 1
4.1400 4.1440 -.0040 2 0 2
3.8500 3.8498 .0002 1 -1 3
3.6700 3.6707 -.0007 1 0 3
3.5600 3.5584 .0016 2 -1 3
3.2300 3.2206 .0094 1 2 0
2.9500 2.9504 -.0004 -1 2 1
A= 9.589 DA= .002
B= 7.771 DB= .002
C= 11.723 DC= .001
GAMMA=103.79 DGAMMA= .02
BETA = 65.28 DBETA = .01
ALPHA=110.01 DALPHA= .01
V=740.8
1. 43-0038
{{C3H7}4N}2xFe2-xPO4*zH2O
Triklin
Dexp Dcal d(D) h k l
9.8300 9.8477 -.0177 1 0 0
6.0900 6.0862 .0038 -1 1 0
5.3100 5.3015 .0085 -1 0 1
4.9100 4.9052 .0048 0 2 0
4.7400 4.7365 .0035 0 -1 1
4.6000 4.6030 -.0030 -1 1 1
4.1700 4.1656 .0044 2 2 0
4.0000 3.9947 .0053 -2 0 1
3.5500 3.5445 .0055 -1 2 1
3.3500 3.3486 .0014 -2 -2 1
3.2800 3.2826 -.0026 3 0 0
3.2200 3.2175 .0025 3 2 0
A= 10.363 DA= .003
B= 10.3707 DB= .0007
C= 5.938 DC= .001
GAMMA= 72.98 DGAMMA= .02
BETA = 94.07 DBETA = .01
ALPHA= 83.22 DALPHA= .01
V=602.2
2. 43-0102
H3Fe{PO4}2*2.5H2O
Triklin
Dexp Dcal d(D) h k l
8.5600 8.5625 -.0025 1 0 0
7.9500 7.9579 -.0079 0 1 0
7.2500 7.2495 .0005 -1 0 1
5.8200 5.8238 -.0038 0 -1 1
4.6200 4.6241 -.0041 -1 2 1
4.0700 4.0715 -.0015 0 -1 2
3.6000 3.6002 -.0002 0 0 3
3.2500 3.2500 -.0000 -3 1 1
3.1100 3.1083 .0017 1 2 1
2.9700 2.9700 -.0000 1 1 3
2.8400 2.8396 .0004 3 -1 1
2.6200 2.6200 .0000 0 3 2
A= 9.8568 DA= .0003
B= 9.289 DB= .001
C= 11.5133 DC= .0003
GAMMA=118.576 DGAMMA= .007
BETA =105.925 DBETA = .003
ALPHA= 71.524 DALPHA= .001
V=868.6
3. 43-0103
Fe3H15{PO4}5*4H2O
Triklin
Dexp Dcal d(D) h k l
8.8600 8.8502 .0098 1 0 0
7.5600 7.5617 -.0017 0 1 1
6.9000 6.8975 .0025 0 -1 1
5.7900 5.7906 -.0006 0 0 2
4.5500 4.5520 -.0020 -2 1 0
4.4100 4.4104 -.0004 2 0 2
4.2000 4.2015 -.0015 -1 2 1
3.8300 3.8230 .0070 2 1 1
3.7400 3.7381 .0019 1 1 3
3.3000 3.2987 .0013 3 -1 1
3.2400 3.2435 -.0035 2 1 3
3.1000 3.1003 -.0003 -2 1 2
A= 9.9695 DA= .0002
B= 9.6452 DB= .0002
C= 12.5105 DC= .0004
GAMMA=106.519 DGAMMA= .003
BETA = 68.415 DBETA = .001
ALPHA= 91.192 DALPHA= .002
V=1067.4
4. 43-0104
Fe{H2PO4}3*2H2O
Triklin
Dexp Dcal d(D) h k l
11.7800 11.7868 -.0068 1 0 0
8.8600 8.8560 .0040 0 1 0
7.6700 7.6565 .0135 0 0 1
4.9200 4.9136 .0064 0 -1 1
4.4000 4.3992 .0008 2 1 1
3.8800 3.8801 -.0001 3 1 0
3.7700 3.7855 -.0155 -2 1 2
3.7500 3.7554 -.0054 2 2 1
3.3800 3.3802 -.0002 1 0 2
3.2500 3.2512 -.0012 -2 2 0
3.0800 3.0783 .0017 3 2 1
3.0300 3.0256 .0044 -1 3 1
A= 12.309 DA= .004
B= 9.680 DB= .009
C= 8.53 DC= .01
GAMMA= 84.43 DGAMMA= .01
BETA =102.60 DBETA = .01
ALPHA= 68.83 DALPHA= .04
V=909.6
5. 43-0105
Fe{H2PO4}3
Triklin
Dexp Dcal d(D) h k l
8.8600 8.8567 .0033 0 1 1
7.7000 7.7015 -.0015 1 0 0
6.1300 6.1259 .0041 0 -1 1
4.7100 4.7099 .0001 1 -1 1
4.2500 4.2474 .0026 0 -1 2
4.0400 4.0289 .0111 1 2 1
3.7400 3.7399 .0001 -2 0 1
3.6400 3.6400 .0000 1 -1 2
3.3600 3.3605 -.0005 -2 1 2
3.0600 3.0629 -.0029 0 -2 2
2.9300 2.9297 .0003 -2 -1 2
2.3400 2.3403 -.0003 0 -3 2
A= 7.7254 DA= .0003
B= 9.644 DB= .002
C= 12.632 DC= .001
GAMMA= 91.73 DGAMMA= .01
BETA = 94.52 DBETA = .01
ALPHA= 68.502 DALPHA= .003
V= 872.9
6. 43-0106
Fe{H2PO4}3
Triklin
Dexp Dcal d(D) h k l
8.9300 8.9479 -.0179 -1 1 0
7.7600 7.7598 .0002 0 0 1
4.1100 4.1099 .0001 0 -2 1
3.9700 3.9683 .0017 -2 3 1
3.7500 3.7514 -.0014 2 -1 1
3.5600 3.5588 .0012 -2 -1 1
3.5000 3.4997 .0003 2 1 1
3.3900 3.3901 -.0001 0 -1 2
3.3400 3.3434 -.0034 -3 1 0
3.2700 3.2687 .0013 -3 2 0
3.0200 3.0201 -.0001 -3 2 2
2.9600 2.9595 .0005 -2 4 0
A= 10.4457 DA= .0003
B= 13.3291 DB= .0005
C= 8.4549 DC= .0002
GAMMA=113.35 DGAMMA= .07
BETA =105.83 DBETA = .05
ALPHA= 68.102 DALPHA= .002
V= 991.97
7. 43-0526
Li3Fe2{PO4}3
Triklin
Dexp Dcal d(D) h k l
6.8400 6.8438 -.0038 0 1 1
6.0200 6.0217 -.0017 0 -1 1
5.4400 5.4373 .0027 -1 0 1
4.2900 4.2941 -.0041 0 2 1
4.0600 4.0670 -.0070 1 2 1
3.8400 3.8401 -.0001 -1 0 2
3.6500 3.6499 .0001 -1 -1 2
3.6300 3.6216 .0084 1 1 2
3.3500 3.3498 .0002 2 1 0
3.2500 3.2494 .0006 -1 2 0
3.0400 3.0431 -.0031 0 3 0
3.0100 3.0109 -.0009 0 -2 2
A= 6.715 DA= .001
B= 9.68 DB= .01
C= 9.046 DC= .003
GAMMA= 71.95 DGAMMA= .06
BETA = 93.45 DBETA = .02
ALPHA= 84.14 DALPHA= .03
V= 553.6
8. 43-0580
Fe2Si90O183*H2O
Triklin
Dexp Dcal d(D) h k l
11.3340 11.3656 -.0316 1 0 0
9.5092 9.5026 .0066 -1 1 0
7.0811 7.0835 -.0024 -1 0 1
6.9700 6.9663 .0037 0 1 1
6.5830 6.5892 -.0062 -1 -1 1
5.7909 5.7886 .0023 1 1 1
5.6802 5.6828 -.0026 2 0 0
4.9552 4.9586 -.0034 2 -1 1
4.8478 4.8447 .0031 2 0 1
4.7703 4.7783 -.0080 -1 2 1
4.5753 4.5733 .0020 -1 3 0
4.2402 4.2393 .0009 -1 -1 2
A= 11.480 DA= .001
B= 14.665 DB= .001
C= 9.389 DC= .001
GAMMA= 98.102 DGAMMA= .004
BETA = 87.589 DBETA = .005
ALPHA=103.5843 DALPHA= .0003
М=1521.3
9. 43-0599
Ca3Fe4S3O6
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
4.3730 4.3770 -.0040 2 0 0
3.0210 3.0218 -.0008 1 1 1
2.9290 2.9293 -.0003 2 1 0
2.7910 2.7895 .0015 0 0 2
2.6580 2.6578 .0002 1 0 2
2.3460 2.3454 .0006 3 1 0
2.1870 2.1885 -.0015 4 0 0
2.0150 2.0164 -.0014 3 0 2
1.9720 1.9712 .0008 0 2 0
1.9150 1.9134 .0016 4 1 0
1.6000 1.6001 -.0001 5 1 0
1.5100 1.5109 -.0009 2 2 2
1.4650 1.4647 .0003 4 2 0
1.3950 1.3948 .0002 0 0 4
a= 8.754 b= 3.942 c= 5.579
da= .002 db= .001 dc= .003
V= 192.5
Triklin
Dexp Dcal d(D) h k l
4.3730 4.3726 .0004 -1 1 0
3.0210 3.0201 .0009 -1 1 1
2.9290 2.9276 .0014 -1 -1 1
2.7910 2.7900 .0010 1 -1 1
2.6580 2.6567 .0013 0 2 0
2.3460 2.3460 -.0000 1 -2 1
2.1870 2.1863 .0007 -2 2 0
2.0150 2.0151 -.0001 -2 -1 1
1.9720 1.9721 -.0001 -2 2 1
1.9150 1.9152 -.0002 2 1 0
1.6000 1.6001 -.0001 2 -3 1
1.5100 1.5100 -.0000 -2 2 2
1.4650 1.4651 -.0001 1 -3 2
1.3950 1.3950 .0000 2 -2 2
A= 5.1879 DA= .0001
B= 5.7568 DB= .0001
C= 4.1278 DC= .0001
GAMMA=107.374 DGAMMA= .005
BETA =104.16 DBETA = .01
ALPHA= 99.367 DALPHA= .007
V= 110.3
10. 43-0600
Ca2Fe2S2O3
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
5.6990 5.7118 -.0128 1 0 0
3.2640 3.2616 .0024 0 2 0
3.1330 3.1318 .0012 1 0 2
2.8300 2.8324 -.0024 1 2 0
2.4720 2.4698 .0022 2 1 1
1.8790 1.8797 -.0007 2 0 3
1.6400 1.6397 .0003 0 3 3
1.5680 1.5681 -.0001 1 4 0
1.4600 1.4600 .0000 0 1 5
a= 5.712 b= 6.523 c= 7.4900
da= .005 db= .002 dc= .0005
V=279.1
11. 43-0821
FeMo
Triklin
Dexp Dcal d(D) h k l
6.4000 6.4047 -.0047 1 0 0
5.7900 5.7830 .0070 0 1 0
4.5700 4.5718 -.0018 0 -1 2
4.3500 4.3522 -.0022 1 -1 2
4.0700 4.0701 -.0001 -1 1 1
3.8600 3.8559 .0041 1 1 0
3.7500 3.7481 .0019 -1 -1 1
3.5700 3.5778 -.0078 0 1 2
3.4600 3.4637 -.0037 1 -1 3
3.3500 3.3494 .0006 1 0 3
3.2400 3.2324 .0076 2 -1 1
3.2000 3.2023 -.0023 2 0 0
A= 6.710 DA= .006
B= 6.202 DB= .003
C= 11.521 DC= .002
GAMMA=106.124 DGAMMA= .005
BETA = 79.52 DBETA = .02
ALPHA=106.14 DALPHA= .02
V= 439.6
12. 43-0822
FeMo2
Triklin
Dexp Dcal d(D) h k l
6.4000 6.3978 .0022 1 -1 1
5.7900 5.7849 .0051 -1 2 0
4.5700 4.5860 -.0160 0 -3 1
4.3500 4.3493 .0007 1 0 2
4.0700 4.0734 -.0034 -1 0 2
3.1400 3.1395 .0005 -2 -2 2
3.8100 3.8092 .0008 0 4 0
3.7500 3.7483 .0017 1 2 2
3.5700 3.5622 .0078 2 0 2
3.4600 3.4512 .0088 2 -1 2
3.3500 3.3501 -.0001 -1 -3 2
3.2550 3.2556 -.0006 2 2 2
A= 10.1488 DA= .0002
B= 15.3504 DB= .0003
C= 9.3074 DC= .0004
GAMMA= 84.216 DGAMMA= .006
BETA = 85.4401 DBETA = .0002
ALPHA= 93.409 DALPHA= .001
V=1435.3
13. 43-0823
BiFeMo2
Triklin
Dexp Dcal d(D) h k l
6.4000 6.3961 .0039 -1 1 0
5.7900 5.7819 .0081 1 1 0
4.8800 4.8878 -.0078 1 0 2
4.5700 4.5699 .0001 1 -1 2
4.3500 4.3486 .0014 -1 0 2
4.0700 4.0786 -.0086 0 0 3
3.8600 3.8645 -.0045 1 -2 2
3.8100 3.8080 .0020 1 2 2
3.7900 3.7799 .0101 0 -1 3
3.7500 3.7481 .0019 -1 3 0
3.5700 3.5701 -.0001 1 -3 1
3.4600 3.4572 .0028 -2 1 0
A= 7.0488 DA= .0002
B= 12.498 DB= .001
C= 12.3528 DC= .0006
GAMMA= 96.26 DGAMMA= .02
BETA = 83.777 DBETA = .002
ALPHA= 85.89 DALPHA= .07
V=1072.7
14. 43-1522
C4H6O6*Fe3O4*C14H16N2O4
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
2.9340 2.9353 -.0013 1 1 1
2.5150 2.5145 .0005 0 0 2
2.0840 2.0860 -.0020 1 2 0
1.6080 1.6075 .0005 3 0 2
1.4750 1.4746 .0004 0 3 0
1.2740 1.2741 -.0001 4 1 2
1.0930 1.0930 -.0000 0 2 4
1.0440 1.0440 -.0000 2 3 3
a= 6.2717 b= 4.4238 c= 5.029
da= .0001 db= .0006 dc= .001
V= 139.53
15. 43-01826
C2H7FeO6P2
Monoklin
GRUPA 3,6,10
Dexp. Dcal. d(D) h k l
12.0990 12.1241 -.0251 1 0 0
8.0729 8.0723 .0006 0 1 1
7.2189 7.2150 .0039 0 2 0
6.2536 6.2571 -.0035 2 0 1
4.2266 4.2267 -.0001 1 2 2
3.8143 3.8134 .0009 2 3 1
3.5240 3.5259 -.0019 3 2 0
2.9663 2.9663 .0000 4 1 0
a= 12.998 b= 14.430 c= 10.4409 beta=68.859
da=.007 db=.002 dc=.0004 dbet=.006
V=1825.2
16. 43-1882
C10H24FeN2O4S4Se2
Triklin
Dexp Dcal d(D) h k l
7.1600 7.1632 -.0032 -1 0 1
6.6400 6.6351 .0049 0 1 1
5.8000 5.7964 .0036 0 -1 1
5.5100 5.5065 .0035 0 1 2
4.9700 4.9664 .0036 1 -1 1
4.0100 4.0083 .0017 1 1 3
3.6000 3.5999 .0001 2 1 0
3.4200 3.4179 .0021 2 0 3
3.2900 3.2918 -.0018 2 -1 2
3.1000 3.1008 -.0008 -2 0 3
2.9400 2.9396 .0004 2 -1 3
2.6000 2.6010 -.0010 -3 0 2
A= 8.695 DA= .004
B= 6.907 DB= .003
C= 15.05 DC= .02
GAMMA= 90.79 DGAMMA= .07
BETA = 84.61 DBETA = .09
ALPHA= 79.95 DALPHA= .06
V= 885.7
17. 43-1886
C22H20FeN6Se2
Triklin
Dexp Dcal d(D) h k l
7.2300 7.2318 -.0018 1 0 1
6.8700 6.8712 -.0012 0 1 1
6.6300 6.6284 .0016 0 -1 1
5.4700 5.4747 -.0047 1 1 1
4.9400 4.9440 -.0040 -1 0 1
4.5200 4.5080 .0120 0 -2 1
4.3700 4.3798 -.0098 1 -1 2
4.0600 4.0607 -.0007 0 1 2
3.8800 3.8810 -.0010 2 0 0
3.6200 3.6159 .0041 2 0 2
3.4400 3.4356 .0044 0 2 2
2.8900 2.8899 .0001 2 -1 3
A= 8.679 DA= .003
B= 11.264 DB= .002
C= 9.295 DC= .003
GAMMA=106.142 DGAMMA= .006
BETA = 68.34 DBETA = .02
ALPHA= 94.002 DALPHA= .005
V= 810.74
18. 43-1887
C14H28FeN6O4Se2
Triklin
Dexp Dcal d(D) h k l
6.1200 6.1197 .0003 1 -1 0
4.3200 4.3201 -.0001 -1 -3 1
3.9900 3.9899 .0001 1 -3 0
3.5900 3.5900 -.0000 -2 0 1
3.3500 3.3500 .0000 -2 -2 1
3.1300 3.1293 .0007 -2 2 1
2.7800 2.7799 .0001 2 -3 0
2.7000 2.7009 -.0009 -2 -4 2
2.3700 2.3700 .0000 -3 -1 1
2.2200 2.2200 .0000 1 2 3
2.1100 2.1100 -.0000 0 -7 2
2.0000 1.9999 .0001 -1 -7 3
1.8400 1.8400 .0000 0 -3 5
1.7800 1.7800 -.0000 3 -1 2
A= 7.207 DA= .004
B= 15.312 DB= .002
C= 9.988 DC= .001
GAMMA= 85.11 DGAMMA= .02
BETA =111.26 DBETA = .01
ALPHA=103.373 DALPHA= .002
V= 999.5
19. 43-1892
C32H24FeN8Se2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.7100 6.7079 .0021 1 1 0
5.6300 5.6252 .0048 1 1 1
4.1600 4.1559 .0041 0 2 0
3.6700 3.6688 .0012 -3 0 1
3.2500 3.2504 -.0004 -2 2 1
3.1700 3.1705 -.0005 2 2 1
2.8400 2.8400 .0000 4 0 0
2.7500 2.7504 -.0004 -3 2 1
2.4900 2.4901 -.0001 2 3 0
2.2500 2.2500 -.0000 -4 1 3
2.1600 2.1600 .0000 -5 0 2
a= 11.3928 b= 8.312 c= 11.09 beta= 94.34
da=.00024 db=.001 dc= .01 dbeta=.05
V= 1047.5
20. 43-1893
C22H16FeN6Se2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.7100 6.7234 -.0134 -1 0 1
6.4600 6.4563 .0037 1 1 0
5.7400 5.7411 -.0011 -1 1 1
5.2900 5.2830 .0070 1 1 1
4.0700 4.0661 .0039 1 2 1
3.8800 3.8722 .0078 -2 0 1
3.6500 3.6536 -.0036 -2 1 1
3.4100 3.4121 -.0021 2 1 1
2.9600 2.9607 -.0007 1 1 3
2.8700 2.8705 -.0005 -2 2 2
2.5500 2.5504 -.0004 0 1 4
2.4100 2.4093 .0007 1 0 4
a= 8.015 b= 11.03 c= 10.555 beta= 96.57
da= .002 db=.04 dc=.009 dbeta=.03
V= 927.1