18-0107
{NH4}2Fe{SO4}2*4H2O
Triklin
Dexp Dcal d(D) h k l
6.2905 6.3009 -.0104 1 1 0
5.7005 5.7001 .0005 2 0 1
5.6405 5.6439 -.0034 1 -1 2
5.0306 5.0309 -.0004 2 0 2
4.5404 4.5381 .0023 2 -1 2
4.3204 4.3172 .0032 0 1 2
4.2305 4.2348 -.0043 0 0 3
3.8104 3.8098 .0006 3 0 1
3.5603 3.5593 .0010 -2 0 2
3.4904 3.4908 -.0004 -1 2 0
3.3704 3.3704 .0000 1 0 4
3.3303 3.3300 .0004 0 1 3
A= 11.4602 DA= .0001
B= 7.7871 DB= .0001
C= 13.9920 DC= .0001
GAMMA= 92.6035 DGAMMA= .0001
BETA = 70.310 DBETA = .001
ALPHA=105.3177 DALPHA= .0005
V=1131.1
18-0108
{NH4}2Fe{SO4}2*2H2O
Triklin
Dexp Dcal d(D) h k l
6.9403 6.9483 -.0080 1 0 0
6.6705 6.6785 -.0080 -1 1 0
5.3604 5.3672 -.0067 1 0 1
4.9704 4.9707 -.0003 0 -1 1
4.4203 4.4266 -.0064 1 1 0
3.9503 3.9511 -.0008 0 2 0
3.7702 3.7728 -.0026 -2 1 0
3.4903 3.4856 .0047 -1 2 2
3.3603 3.3581 .0022 1 -2 1
3.3203 3.3165 .0038 1 1 2
2.9722 2.9698 .0024 1 2 0
2.9092 2.9083 .0009 -2 2 2
A= 7.589 DA= .003
B= 9.033 DB= .003
C= 8.532 DC= .001
GAMMA=113.65 DGAMMA= .05
BETA = 95.42 DBETA = .06
ALPHA= 72.04 DALPHA= .01
V=508.9
18-0514
Fe2{SO4}3*5Fe2O3*15H2O
Triklin
Dexp Dcal d(D) h k l
10.9010 10.9227 -.0217 1 0 0
8.0510 8.0354 .0156 0 1 0
6.7008 6.7018 -.0010 1 0 1
4.6805 4.6859 -.0054 2 -1 1
4.3904 4.3886 .0019 2 1 0
4.0204 4.0177 .0027 0 2 0
3.8604 3.8628 -.0024 2 1 1
3.7004 3.6951 .0053 1 2 0
3.5505 3.5493 .0011 3 -1 1
3.4104 3.4104 .0000 2 -1 2
3.3503 3.3509 -.0005 2 0 2
3.2403 3.2396 .0008 3 1 0
A= 11.379 DA= .004
B= 8.303 DB= .002
C= 7.443 DC= .001
GAMMA= 97.26 DGAMMA= .01
BETA = 74.12 DBETA = .01
ALPHA=104.14 DALPHA= .04
V= 654.6
18-0515
4Fe2{SO4}3.5Fe2O3*27H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.9707 5.9726 -.0019 -1 0 1
5.6806 5.6831 -.0025 1 0 1
5.1105 5.1080 .0025 0 1 1
3.6804 3.6807 -.0003 0 2 0
3.5404 3.5410 -.0006 2 1 1
3.1304 3.1295 .0008 -3 0 1
3.0904 3.0913 -.0010 -1 1 2
2.9953 3.0030 -.0077 3 0 1
2.9834 2.9839 -.0006 2 2 0
2.8433 2.8416 .0017 2 0 2
2.5533 2.5540 -.0007 0 2 2
2.3273 2.3268 .0004 3 2 1
a= 10.207 b= 7.361 c= 7.104 beta= 93.03
da=.004 db=.008 dc= .002 dbet=.08
V= 533.0
Triklin
Dexp Dcal d(D) h k l
5.9707 5.9695 .0012 1 0 0
5.6806 5.6862 -.0056 0 1 0
5.1105 5.1078 .0027 0 -1 1
3.6804 3.6754 .0050 2 -1 1
3.5404 3.5417 -.0013 1 -2 1
3.1304 3.1306 -.0002 2 -1 2
3.0904 3.0910 -.0006 -1 -1 1
2.9953 2.9934 .0020 2 0 1
2.9834 2.9848 -.0014 2 0 0
2.8433 2.8431 .0002 0 2 0
2.5533 2.5527 .0006 2 0 2
2.3273 2.3265 .0007 2 -3 2
A= 7.386 DA= .007
B= 7.121 DB= .001
C= 7.810 DC= .008
GAMMA=123.98 DGAMMA= .02
BETA = 65.82 DBETA = .08
ALPHA=115.68 DALPHA= .03
V= 299.2
18-0649
FePO4
Triklin
Dexp Dcal d(D) h k l
3.3204 3.3220 -.0016 -1 2 1
3.2003 3.2039 -.0036 -1 -2 1
2.8803 2.8796 .0007 1 2 3
2.7903 2.7873 .0030 2 0 2
2.6703 2.6696 .0007 -2 0 2
2.6403 2.6402 .0001 2 4 2
2.5203 2.5204 -.0001 1 4 1
2.4003 2.4003 -.0000 3 4 1
2.2902 2.2897 .0005 0 -2 2
2.1902 2.1907 -.0004 4 1 0
2.1402 2.1404 -.0001 3 4 0
2.0602 2.0596 .0007 0 4 0
A= 9.355 DA= .002
B= 10.660 DB= .001
C= 8.64228 DC= .00001
GAMMA= 59.75 DGAMMA= .02
BETA = 73.02 DBETA = .02
ALPHA= 58.93 DALPHA= .01
V=636.5
18-0659
FeTi{SO4}3
Rombik
Groupa 23,44,71
Dexp. Dcal. d(D) h k l
5.5003 5.5015 -.0013 1 1 0
4.2504 4.2795 -.0292 0 2 0
3.8002 3.7958 .0044 1 1 2
3.5003 3.4693 .0310 1 2 1
3.2502 3.2364 .0138 0 1 3
2.9702 2.9628 .0075 2 0 2
2.6502 2.6515 -.0012 1 3 0
2.4002 2.4040 -.0039 2 1 3
2.0502 2.0490 .0012 3 2 1
1.8401 1.8382 .0020 2 4 0
1.5701 1.5700 .0001 4 1 3
1.4501 1.4514 -.0013 3 4 3
a= 7.182 b= 8.559 c=10.488
da= .003 db= .004 dc= .053
v= 645
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
5.5003 5.5115 -.0112 1 1 1
4.2504 4.2491 .0013 -1 0 1
3.8002 3.8030 -.0028 1 0 2
3.5003 3.4983 .0019 2 1 0
3.2502 3.2461 .0041 0 1 2
2.9702 2.9704 -.0002 2 2 0
2.6502 2.6514 -.0012 3 1 1
2.4002 2.3982 .0020 3 2 1
2.0502 2.0506 -.0004 1 4 2
1.8401 1.8405 -.0004 4 1 0
1.5701 1.5700 .0001 4 4 2
1.4501 1.4501 -.0000 2 2 5
a= 8.286 b= 9.7394 c= 7.611 beta= 64.78
da=.004 db=.0001 dc=.007 dbet=.09
V= 555.7
12-0660
W2FeSi
Triklin
Dexp Dcal d(D) h k l
3.0002 3.0008 -.0006 3 0 1
2.8602 2.8602 -.0000 2 -1 1
2.5962 2.5885 .0076 4 1 1
2.5132 2.5136 -.0004 0 -2 1
2.4552 2.4554 -.0002 4 0 1
2.4312 2.4312 .0000 3 -1 1
2.3612 2.3628 -.0017 -3 0 2
2.2362 2.2340 .0022 1 3 1
2.2042 2.2040 .0002 2 3 0
2.1781 2.1778 .0003 -3 -1 2
2.1482 2.1467 .0015 0 3 0
2.1081 2.1068 .0014 3 2 2
A= 12.13 DA= .01
B= 6.825 DB=.001
C= 5.595 DC= .001
GAMMA= 76.55 DGAMMA= .08
BETA = 93.62 DBETA = .02
ALPHA= 77.28 DALPHA= .01
V= 436.3
18-0766
KBa{Mg,Fe}6{Al,Si}Si6O20F2
Triklin
Dexp Dcal d(D) h k l
11.7008 11.6956 .0052 1 0 0
11.2009 11.1957 .0052 0 1 0
10.1007 10.1060 -.0053 0 0 1
9.5011 9.5016 -.0006 1 0 1
4.7304 4.7302 .0002 0 1 2
4.4904 4.4904 .0000 0 -1 2
4.3503 4.3503 .0000 -1 -2 1
4.0003 4.0004 -.0000 -2 1 1
3.6303 3.6300 .0003 1 -2 2
3.5102 3.5102 -.0000 2 3 1
3.2002 3.2023 -.0020 2 -1 3
3.0102 3.0111 -.0009 3 2 3
A= 12.748 DA= .004
B= 11.430 DB= .003
C= 10.913 DC= .002
GAMMA= 79.07 DGAMMA= .01
BETA = 68.17 DBETA = .03
ALPHA= 82.32 DALPHA= .01
V= 1445.8
18-1027
K2Fe{SO4}2
Triklin
Dexp Dcal d(D) h k l
9.0004 9.0035 -.0031 1 -1 0
6.6305 6.6253 .0053 1 1 0
5.5505 5.5496 .0009 0 0 1
4.6904 4.6914 -.0010 -3 1 0
4.1303 4.1294 .0009 2 -2 1
4.0903 4.0924 -.0021 1 1 1
3.9302 3.9256 .0046 0 -2 1
3.5902 3.5875 .0027 2 1 1
3.4403 3.4433 -.0030 -1 -2 1
3.3902 3.3886 .0017 4 0 0
3.1702 3.1706 -.0003 -2 3 0
3.0802 3.0816 -.0014 4 0 1
A= 14.6562 DA= .0005
B= 9.9402 DB= .0007
C= 5.8019 DC= .0005
GAMMA=111.063 DGAMMA= .007
BETA = 77.611 DBETA = .001
ALPHA=105.162 DALPHA= .004
V=754.9
18-1029
K2Fe{SO4}2*2H2O
Triklin
Dexp Dcal d(D) h k l
6.6707 6.6741 -.0034 0 1 1
5.5204 5.5147 .0057 1 1 0
4.7303 4.7270 .0033 0 -1 1
3.6503 3.6497 .0005 1 2 0
3.5602 3.5586 .0017 -1 -1 1
3.4002 3.4011 -.0009 0 0 2
3.3302 3.3284 .0018 1 2 2
3.2302 3.2264 .0038 0 3 1
3.1802 3.1778 .0024 2 -2 1
3.1002 3.1022 -.0020 -1 3 0
3.0002 2.9984 .0018 -1 1 2
2.9012 2.9029 -.0017 -1 2 2
A= 8.968 DA= .009
B= 9.807 DB= .005
C= 7.657 DC= .005
GAMMA= 96.94 DGAMMA= .06
BETA = 71.27 DBETA = .02
ALPHA= 73.33 DALPHA= .03
V= 593.9
18-1030
K2Fe{SO4}2*4H2O
Triklin
Dexp Dcal d(D) h k l
6.1503 6.1489 .0014 0 2 0
6.1004 6.0987 .0017 -1 2 0
5.8905 5.8970 -.0065 2 1 0
5.2905 5.2898 .0007 0 1 1
4.9603 4.9601 .0002 3 0 0
4.7603 4.7610 -.0008 0 -1 1
4.2004 4.1981 .0023 -2 2 1
4.0103 4.0079 .0025 1 2 1
3.5003 3.5022 -.0019 -2 3 1
3.4202 3.4205 -.0003 3 -1 1
3.3202 3.3198 .0005 -4 1 1
3.0702 3.0705 -.0003 1 -3 1
3.0502 3.0494 .0009 -2 4 0
2.9302 2.9306 -.0004 -1 4 1
2.8992 2.8993 -.0001 -5 2 0
A= 15.261 DA= .001
B= 12.685 DB= .001
C= 5.5761 DC= .0001
GAMMA=101.696 DGAMMA= .008
BETA = 97.041 DBETA = .001
ALPHA= 80.6843 DALPHA= .0004
V=1039.0
18-1510
C20H24FeN2O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.4610 8.4658 -.0049 -2 0 1
7.7205 7.7241 -.0035 0 0 2
6.6006 6.6072 -.0065 0 1 0
6.0803 6.0844 -.0041 1 1 0
5.0303 5.0209 .0095 0 1 2
4.3902 4.3934 -.0031 1 0 3
4.1903 4.1863 .0040 -2 1 3
4.0902 4.0873 .0029 3 1 0
3.9502 3.9518 -.0016 -3 0 4
3.6603 3.6584 .0019 1 1 3
a= 17.04 b=6.61 c= 16.867 beta= 113.7
da=.03 db=.03 dc=.005 dbet=.2
V= 1739
18-1694
C6H12N4O2*FeCl3
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
7.4008 7.3940 .0067 1 1 0
6.4104 6.4146 -.0042 -1 0 1
6.2305 6.2473 -.0168 0 0 2
6.1003 6.1136 -.0133 0 2 0
5.6404 5.6503 -.0099 1 1 2
4.6404 4.6419 -.0015 2 0 0
4.4803 4.4804 -.0001 -1 0 2
4.4303 4.4255 .0048 -1 2 1
4.1903 4.1866 .0038 1 1 3
3.9103 3.9101 .0001 -2 0 1
a= 9.97 b= 12.23 c= 13.421 beta= 68.58
da=.02 db=.03 dc= .001 dbet=.07
V= 1523
18-1749
C18H27FeO6
Triklin
Dexp Dcal d(D) h k l
8.2807 8.3130 -.0323 1 1 0
7.9107 7.9098 .0009 -2 1 0
7.5805 7.4948 .0857 -1 2 0
7.2205 7.2248 -.0044 2 0 0
6.8106 6.8068 .0038 0 2 0
6.5003 6.5094 -.0091 -2 2 0
6.2005 6.2006 -.0001 0 0 1
6.0203 6.0315 -.0111 -1 0 1
5.6803 5.6800 .0003 0 -1 1
5.0903 5.0934 -.0031 -2 0 1
4.9803 4.9693 .0110 1 -3 0
4.8204 4.8165 .0039 3 0 0
A= 16.13 DA= .01
B= 15.031 DB= .007
C= 6.2779 DC= .0009
GAMMA=115.07 DGAMMA= .07
BETA = 98.95 DBETA = .03
ALPHA= 87.12 DALPHA= .01
V=1363
18-1785
C36H24N6*FeCl2
Triklin
Dexp Dcal d(D) h k l
11.3012 11.3472 -.0460 1 0 0
9.5508 9.5340 .0168 0 1 0
8.9809 8.9916 -.0107 0 1 1
8.0407 8.0061 .0346 -1 0 1
7.6707 7.6749 -.0042 -1 1 0
7.0204 7.0061 .0143 1 1 1
6.1704 6.1665 .0039 0 1 2
5.8003 5.7945 .0058 1 0 2
5.4005 5.4043 -.0038 2 0 1
5.2704 5.2706 -.0002 -1 0 2
4.3503 4.3524 -.0021 0 1 3
3.9703 3.9707 -.0004 -1 1 3
3.8503 3.8499 .0004 -2 2 1
3.7002 3.7008 -.0005 -1 -2 1
A= 11.444 DA= .005
B= 10.003 DB= .002
C= 13.26 DC= .01
GAMMA= 93.87 DGAMMA= .06
BETA = 85.02 DBETA = .02
ALPHA= 73.27 DALPHA= .05
V=1440.7
18-1786
C36H24N6*Fe{ClO4}2
Triklin
Dexp Dcal d(D) h k l
9.5709 9.5602 .0106 0 1 1
8.9204 8.9224 -.0020 -1 0 1
6.8604 6.8635 -.0031 0 -1 1
6.2305 6.2300 .0006 0 2 0
5.9504 5.9420 .0084 -1 2 1
5.6203 5.6126 .0076 -1 1 2
5.3104 5.3113 -.0009 -1 0 2
5.0903 5.0917 -.0014 0 0 2
4.8403 4.8469 -.0066 -2 1 0
4.7304 4.7296 .0007 -2 -1 1
4.4603 4.4612 -.0008 -2 0 2
4.1703 4.1677 .0027 2 0 1
4.0502 4.0495 .0007 1 -2 1
3.9003 3.9018 -.0015 0 3 2
3.8103 3.8100 .0003 -2 -2 1
A= 11.236 DA= .005
B= 13.259 DB= .001
C= 11.4583 DC= .0005
GAMMA= 96.22 DGAMMA= .09
BETA =109.92 DBETA = .04
ALPHA= 70.015 DALPHA= .002
V= 1508.2
18-1787
C36H24N6*FeSO4
Triklin
Dexp Dcal d(D) h k l
11.5011 11.4858 .0153 1 0 0
9.8504 9.8428 .0076 0 1 0
8.9906 8.9948 -.0041 0 0 1
8.0804 8.0764 .0040 -1 0 1
7.7804 7.7811 -.0007 0 -1 1
7.1406 7.1354 .0052 1 1 0
4.3703 4.3708 -.0005 1 2 0
4.0003 4.0003 .0000 1 -1 2
3.8703 3.8705 -.0002 -3 0 1
3.7302 3.7303 -.0000 2 1 1
A= 11.833 DA= .001
B= 10.238 DB= .003
C= 9.5861 DC= .0004
GAMMA= 92.05 DGAMMA= .01
BETA =102.757 DBETA = .006
ALPHA=104.97 DALPHA= .01
V= 1089
18-1923
C16H40N2*Fe{CNS}4
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
9.5002 9.5428 -.0426 1 0 2
7.1708 7.1736 -.0028 0 0 3
6.5704 6.5790 -.0085 0 1 0
6.0305 6.0185 .0120 1 1 1
4.9803 4.9670 .0133 3 0 3
4.7504 4.7563 -.0059 3 1 0
4.1702 4.1648 .0054 0 1 4
3.9903 3.9912 -.0010 4 1 1
3.8003 3.8000 .0003 4 1 2
3.1903 3.1914 -.0011 3 1 5
3.0403 3.0409 -.0006 1 0 7
a=20.65 b= 6.58 c=21.520730
da= .01 db= .01 dc= .015715
v=2924
Triklin
Dexp Dcal d(D) h k l
9.5002 9.5038 -.0035 1 0 0
7.1708 7.1714 -.0006 0 1 0
6.5704 6.5694 .0011 1 0 1
6.0305 6.0332 -.0026 -1 0 1
4.9803 4.9802 .0001 1 1 0
4.7504 4.7519 -.0015 2 0 0
4.1702 4.1705 -.0003 -1 -1 1
3.9903 3.9892 .0011 -2 0 1
3.8003 3.8003 .0001 -1 2 0
3.1903 3.1903 -.0000 3 -1 1
3.0403 3.0403 -.0001 -2 1 2
A= 10.118 DA= .001
B= 7.6086 DB= .0003
C= 8.408 DC= .002
GAMMA=109.482 DGAMMA= .003
BETA = 85.267 DBETA = .001
ALPHA= 90.33 DALPHA= .01
V= 607.97
18-1955
C24H20Fe0.33NO6P2
Triklin
Dexp Dcal d(D) h k l
13.9023 13.9042 -.0020 1 0 0
12.2004 12.2059 -.0055 0 1 0
10.9011 10.9244 -.0233 -1 0 1
10.2007 10.1354 .0653 1 0 1
9.0011 8.9925 .0086 -1 1 1
8.0009 8.0225 -.0215 0 0 2
7.5008 7.4919 .0089 -1 -1 1
7.2004 7.1880 .0124 -1 0 2
6.8005 6.7942 .0063 -1 1 2
6.3006 6.2858 .0148 -2 1 0
6.0907 6.1029 -.0123 0 2 0
5.7906 5.7950 -.0044 -1 2 1
A= 14.018 DA= .006
B= 12.440 DB= .004
C= 16.34 DC= .03
GAMMA= 95.91 DGAMMA= .04
BETA = 95.27 DBETA = .09
ALPHA= 80.09 DALPHA= .01
V= 2783.3