1. 19-0220
Ca7.2Fe0.8Fe30O53
Monoklin
Grupa 5,8,12
Dexp Dcal d(D) h k l
15.8020 15.7355 .0665 0 0 1
5.2404 5.2452 -.0048 0 0 3
5.1804 5.1881 -.0077 1 1 0
5.0103 5.0106 -.0003 -1 1 1
4.8503 4.8478 .0024 1 1 1
4.7603 4.7548 .0054 2 0 1
4.4503 4.4461 .0042 -1 1 2
3.9402 3.9339 .0063 0 0 4
3.4903 3.4926 -.0023 2 0 3
3.2202 3.2219 -.0017 -1 1 4
3.1502 3.1471 .0031 0 0 5
3.0502 3.0541 -.0039 1 1 4
a= 10.395 b= 5.999 c= 15.832 beta= 96.34
da=.005 db=.008 dc=.006 dbet=.04
V= 981.3
Triklin
Dexp Dcal d(D) h k l
15.8020 15.8099 -.0079 0 2 0
5.2404 5.2356 .0048 0 1 1
5.1804 5.1771 .0033 0 -1 1
5.0103 5.0019 .0084 1 0 0
4.8503 4.8411 .0092 -1 2 0
4.7603 4.7591 .0011 -1 1 1
4.4503 4.4568 -.0065 -1 -2 1
3.9402 3.9382 .0020 -1 -4 1
3.4903 3.4920 -.0018 0 7 1
3.2202 3.2176 .0026 0 8 1
3.1502 3.1516 -.0014 -1 -7 1
3.0502 3.0498 .0005 1 0 1
A= 5.520 DA= .001
B= 31.722 DB= .006
C= 5.821 DC= .001
GAMMA= 94.17 DGAMMA= .02
BETA =114.87 DBETA = .01
ALPHA= 86.465 DALPHA= .009
V= 921.8
2. 19-0221
CaFe4O7
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
5.2504 5.2371 .0134 0 0 2
5.1905 5.1927 -.0022 1 2 0
5.0804 5.0847 -.0043 0 2 1
5.0005 4.9948 .0056 1 0 2
4.8404 4.8394 .0009 2 1 1
4.7603 4.7538 .0065 1 2 1
4.2303 4.2534 -.0230 -1 1 2
3.9302 3.9262 .0040 2 2 1
3.7902 3.7892 .0010 1 2 2
3.5902 3.5933 -.0031 -1 2 2
3.5003 3.4976 .0027 -2 1 2
3.3102 3.3132 -.0030 1 1 3
a= 11.61 b= 11.632 c= 10.547 beta= 83.2
da=.01 db= .008 dc= .01 dbet= .2
V= 1414
3. 19-0231
Ca4Fe2Si6O15{OH}6
Triklin
Dexp Dcal d(D) h k l
5.5204 5.5353 -.0150 0 1 1
4.6504 4.6454 .0050 -1 0 1
4.1702 4.1682 .0020 0 -1 1
3.5803 3.5785 .0018 0 2 0
3.1203 3.1202 .0001 -1 2 0
3.0102 3.0099 .0003 -1 0 2
2.7882 2.7887 -.0005 0 -2 1
2.6292 2.6307 -.0015 -2 1 0
2.5002 2.4990 .0012 1 1 2
2.3852 2.3857 -.0005 0 3 0
2.0691 2.0694 -.0003 0 2 3
2.0171 2.0168 .0004 -2 3 1
A= 5.6709 DA= .0007
B= 7.5456 DB= .0006
C= 6.728 DC= .001
GAMMA= 99.02 DGAMMA= .03
BETA =104.59 DBETA = .02
ALPHA= 72.191 DALPHA= .006
V=264.1
4. 19-0603
FeAsO4*xH2O
Triklin
Dexp Dcal d(D) h k l
5.6104 5.6032 .0072 -1 1 1
5.1605 5.1612 -.0007 0 -1 1
5.0203 5.0237 -.0034 1 -1 1
4.4803 4.4797 .0006 -2 1 1
4.0803 4.0804 -.0001 -1 2 0
3.8003 3.7982 .0021 0 0 2
3.3803 3.3809 -.0006 0 -2 1
3.3403 3.3382 .0021 3 1 1
3.1802 3.1825 -.0023 2 -2 1
3.0603 3.0583 .0019 -4 1 0
3.0002 2.9988 .0014 -3 2 1
2.7572 2.7582 -.0010 -1 3 0
A= 12.568 DA= .003
B= 8.401 DB= .002
C= 7.712 DC= .008
GAMMA= 98.11 DGAMMA= .02
BETA = 87.43 DBETA = .06
ALPHA= 80.90 DALPHA= .05
V=794.9
5. 19-0615
эта-Fe2O3
Tetragon
GRupa 94
Dexp. Dcal. d(D) h k l
3.8503 3.8466 .0038 1 0 1
2.3502 2.3500 .0002 2 2 0
2.1101 2.1079 .0023 1 1 2
2.0101 2.0054 .0048 3 0 1
1.9201 1.9199 .0003 3 1 1
1.7201 1.7170 .0031 3 2 1
1.6601 1.6617 -.0016 4 0 0
1.6101 1.6121 -.0019 4 1 0
1.5301 1.5300 .0001 1 0 3
1.4201 1.4212 -.0011 2 0 3
1.3901 1.3898 .0003 2 1 3
a= 6.647 c= 4.717
da= .003 dc= .004
V= 208.4
6. 19-0616
Fe4As2O11
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
4.6603 4.6580 .0023 1 0 1
4.2303 4.2274 .0030 0 1 2
3.5003 3.4920 .0083 -2 0 1
3.2703 3.2690 .0013 1 0 2
3.1703 3.1689 .0014 -1 0 3
3.1502 3.1490 .0012 1 1 2
2.9963 2.9949 .0014 1 3 1
2.9552 2.9606 -.0054 0 3 2
2.8552 2.8554 -.0003 1 2 2
2.7402 2.7404 -.0002 2 1 1
2.6462 2.6466 -.0004 -2 1 3
2.5201 2.5223 -.0022 2 3 0
a= 6.989 b= 11.731 c= 9.595 beta= 109.16
da=.003 db=.002 dc=.005 dbet=.01
V= 743.1
Triklin
Dexp Dcal d(D) h k l
4.6603 4.6643 -.0040 1 0 1
4.2303 4.2315 -.0012 1 3 0
3.5003 3.5020 -.0017 2 -1 1
3.2703 3.2703 -.0001 3 2 1
3.1703 3.1725 -.0023 2 3 1
3.1502 3.1495 .0006 -4 -1 1
2.9963 2.9983 -.0020 -4 0 1
2.9552 2.9584 -.0032 0 4 0
2.8552 2.8536 .0016 -4 -3 1
2.7402 2.7376 .0026 4 0 1
2.6462 2.6440 .0022 -2 3 1
2.5201 2.5205 -.0004 0 1 2
A= 14.9012 DA= .0005
B= 12.750 DB= .004
C= 5.1613 DC= .0008
GAMMA= 68.182 DGAMMA= .007
BETA = 95.585 DBETA = .007
ALPHA= 90.96 DALPHA= .01
V= 906.0
7. 19-0624
Fe2Si0.4B0.6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.2302 3.2277 .0025 2 1 0
3.1102 3.1055 .0047 2 1 1
2.8392 2.8438 -.0046 0 3 1
2.5802 2.5761 .0041 -2 2 1
2.4872 2.4860 .0011 0 3 2
2.4712 2.4711 .0000 0 2 3
2.3362 2.3371 -.0010 2 0 3
2.3092 2.3080 .0012 -1 3 2
2.1902 2.1902 -.0000 -3 0 1
2.1531 2.1527 .0005 0 1 4
2.0701 2.0701 .0001 -1 4 1
2.0461 2.0464 -.0003 1 3 3
a= 6.935 b= 9.007 c=8.8939 beta= 85.59
da=.004 db=.008 dc=.0008 dbet=.03
V= 553.9
Triklin
Dexp. Dcal. d(D) h k l
3.2302 3.2302 .0000 -2 -2 0
3.1102 3.1093 .0009 4 0 0
2.8392 2.8395 -.0003 -4 -1 0
2.5802 2.5793 .0009 1 0 1
2.4872 2.4922 -.0050 4 -2 0
2.4712 2.4697 .0014 -1 1 1
2.3362 2.3361 .0001 -5 -1 0
2.3092 2.3091 .0000 2 -1 1
2.1902 2.1892 .0010 -3 0 1
2.1531 2.1535 -.0003 -3 -3 0
2.0701 2.0702 -.0001 -3 -1 1
2.0461 2.0447 .0014 4 -3 0
A= 12.457 DA= .001
B= 7.814 DB= .001
C= 2.626 DC= .001
GAMMA= 92.80 DGAMMA= .01
BETA = 88.6035 DBETA = .0001
ALPHA= 87.09 DALPHA= .02
V= 254.9
8. 19-0630
Fe4SO4{OH}10
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
10.9005 10.9371 -.0366 1 0 0
8.0507 8.0423 .0084 0 1 1
6.7005 6.6902 .0103 -1 1 1
4.6803 4.6867 -.0064 1 2 1
4.3903 4.3913 -.0010 2 1 1
4.0203 4.0211 -.0009 0 2 2
3.8603 3.8562 .0040 -1 2 2
3.7002 3.6971 .0032 1 2 2
3.5503 3.5524 -.0021 1 3 1
3.4102 3.4048 .0055 -3 1 1
3.3502 3.3495 .0007 -1 1 3
3.2402 3.2421 -.0019 3 1 1
a= 10.98 b= 12.18 c= 10.75 beta= 94.96
da=.01 db=.01 dc=.01 dbet=.08
V= 1432
Triklin
Dexp Dcal d(D) h k l
10.9005 10.9284 -.0279 1 0 0
8.0507 8.0456 .0051 0 1 0
6.7005 6.6953 .0052 1 1 0
4.6803 4.6868 -.0066 1 1 1
4.3903 4.3887 .0016 0 -2 1
4.0203 4.0228 -.0025 0 2 0
3.8603 3.8593 .0010 1 2 0
3.7002 3.6991 .0011 3 0 1
3.5503 3.5563 -.0060 2 -2 1
3.4102 3.4091 .0011 -1 0 2
3.3502 3.3476 .0026 2 2 0
3.2402 3.2385 .0017 -3 1 0
A= 11.347 DA= .003
B= 8.842 DB= .001
C= 8.903 DC= .002
GAMMA= 92.80 DGAMMA= .02
BETA = 74.85 DBETA = .05
ALPHA=114.23 DALPHA= .09
V= 784.5
9. 19-0637
TiFeSi
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
5.5003 5.4434 .0568 1 1 0
3.1502 3.1513 -.0011 0 2 0
2.9302 2.9291 .0011 1 1 1
2.7002 2.7000 .0002 4 0 0
2.5002 2.5002 -.0000 3 0 1
2.3402 2.3344 .0058 0 2 1
2.1401 2.1427 -.0026 2 2 1
2.0451 2.0433 .0018 5 1 0
1.8001 1.8000 .0001 6 0 0
1.7651 1.7659 -.0007 4 2 1
1.7401 1.7375 .0026 0 0 2
1.4991 1.4986 .0005 7 1 0
1.3761 1.3761 .0000 7 1 1
1.3251 1.3256 -.0005 4 2 2
a=10.800 b= 6.30 c= 3.4751
da= .001 db= .01 dc= .0004
V= 236.5
Triklin
Dexp Dcal d(D) h k l
5.5003 5.5037 -.0034 1 0 0
3.1502 3.1479 .0023 1 1 1
2.9302 2.9283 .0019 1 -1 1
2.7002 2.6999 .0003 -2 1 0
2.5002 2.5000 .0002 -2 1 1
2.3402 2.3388 .0014 -1 2 0
2.1401 2.1401 .0001 0 2 2
2.0451 2.0465 -.0014 -2 2 0
1.8001 1.8013 -.0012 3 0 1
1.7651 1.7647 .0004 -1 -1 2
1.7401 1.7404 -.0002 1 0 3
1.4991 1.4990 .0001 1 -1 3
1.3761 1.3759 .0002 4 0 0
1.3531 1.3532 -.0001 -1 -2 2
1.3251 1.3251 .0000 3 1 3
A= 5.7181 DA= .0004
B= 5.022 DB= .001
C= 5.656 DC= .002
GAMMA=104.20 DGAMMA= .04
BETA = 88.47 DBETA = .05
ALPHA= 70.3427 DALPHA= .0002
V= 147.2
10. 19-1518
C16H16FeO4
Triklin
Dexp Dcal d(D) h k l
8.1007 8.1053 -.0046 0 1 0
6.9006 6.8995 .0011 0 1 1
6.4004 6.4069 -.0065 0 -1 1
5.7205 5.7373 -.0168 1 -1 1
5.4204 5.4147 .0057 -1 -1 1
5.1604 5.1661 -.0057 -1 0 2
5.0603 5.0474 .0129 2 0 1
4.8304 4.8361 -.0057 -2 1 0
4.5904 4.5960 -.0056 -1 1 2
4.2803 4.2805 -.0002 1 -1 2
4.1504 4.1508 -.0005 -1 -1 2
4.0903 4.0956 -.0054 -2 -1 1
A= 11.312 DA= .002
B= 8.165 DB= .003
C= 11.613 DC= .001
GAMMA= 95.29 DGAMMA= .01
BETA = 90.92 DBETA = .01
ALPHA= 85.43 DALPHA= .01
V=1063
11. 19-1522
C13H14FeO
Triklin
Dexp Dcal d(D) h k l
13.5005 13.5235 -.0231 1 0 0
9.5109 9.4931 .0178 -1 1 0
9.4209 9.4512 -.0303 0 0 1
6.7404 6.7489 -.0085 0 -1 1
5.4805 5.4676 .0130 1 -2 0
5.3104 5.3112 -.0008 -1 2 1
4.8804 4.8805 -.0001 -2 2 1
4.7203 4.7160 .0043 -3 1 1
4.5003 4.5006 -.0002 -3 1 0
4.2603 4.2566 .0037 1 2 1
4.1002 4.1013 -.0011 -3 2 1
4.0203 4.0171 .0032 -2 2 2
A= 14.551 DA= .001
B= 11.38 DB= .01
C= 10.036 DC= .004
GAMMA=104.42 DGAMMA= .01
BETA =108.384 DBETA = .003
ALPHA= 78.92 DALPHA= .04
V= 1515.5
12. 19-1632
C10H20FeN2S4
Triklin
Dexp Dcal d(D) h k l
9.2105 9.2150 -.0045 1 0 0
8.6804 8.6792 .0012 0 1 1
7.5204 7.5189 .0016 -1 0 1
7.1305 7.1330 -.0025 0 -1 1
6.1504 6.1499 .0005 0 1 2
5.0303 5.0299 .0004 -1 -1 1
4.8304 4.8309 -.0005 -2 1 0
4.6103 4.6075 .0028 2 0 0
4.4003 4.4008 -.0004 2 0 1
4.2303 4.2302 .0002 0 -2 1
3.7503 3.7503 -.0000 1 2 0
A= 9.79020 DA= .002
B= 10.34082 DB= .001
C= 13.85 DC= .03
GAMMA=109.68 DGAMMA= .05
BETA = 92.5 DBETA = .1
ALPHA= 77.98 DALPHA= .01
V= 1291
13. 19-1647
C18H22FeO3
Triklin
Dexp Dcal d(D) h k l
13.5005 13.4507 .0497 1 0 0
12.4004 12.4183 -.0179 1 -1 0
8.1605 8.1467 .0138 1 -1 1
7.6104 7.6576 -.0471 1 1 0
6.2206 6.2092 .0114 -2 2 0
6.0403 6.0364 .0039 -2 1 1
5.8106 5.8126 -.0020 -1 2 1
5.4704 5.4603 .0101 0 -2 1
5.3904 5.3894 .0010 0 2 1
5.2804 5.2835 -.0031 -2 2 1
4.9304 4.9284 .0019 1 0 2
4.8203 4.8222 -.0018 -3 2 0
4.1504 4.1478 .0026 3 0 1
4.0703 4.0734 -.0031 2 -2 2
3.7303 3.7309 -.0007 3 1 0
A= 15.065 DA= .001
B= 14.176 DB= .003
C= 10.535 DC= .002
GAMMA=116.764 DGAMMA= .001
BETA = 88.62 DBETA = .01
ALPHA= 91.389 DALPHA= .001
V=2008.5
14. 19-1648
C18H22FeO3
Triklin
Dexp Dcal d(D) h k l
10.7008 10.7576 -.0569 1 0 0
10.3003 10.3044 -.0041 0 0 1
7.6904 7.6888 .0016 -1 0 1
7.1804 7.2164 -.0360 1 0 1
6.7106 6.7160 -.0054 0 -1 1
6.2403 6.2432 -.0029 1 1 1
5.7704 5.7784 -.0081 -1 -1 1
5.3704 5.3788 -.0084 2 0 0
5.1505 5.1522 -.0018 0 0 2
4.9703 4.9658 .0045 0 1 2
4.7604 4.7659 -.0056 -1 0 2
4.6103 4.6101 .0002 1 2 0
A= 10.7833 DA= .0002
B= 10.4437 DB= .0004
C= 10.4882 DC= .0004
GAMMA= 91.557 DGAMMA= .001
BETA = 93.8558 DBETA = .0008
ALPHA= 79.8905 DALPHA= .0004
V=1159
15. 19-1715
C12H8FeN4S2
Triklin
Dexp Dcal d(D) h k l
8.5606 8.5614 -.0009 0 1 1
7.9608 7.9651 -.0043 0 -1 1
6.6006 6.6031 -.0025 1 1 0
5.8403 5.8393 .0010 0 1 2
4.4404 4.4400 .0004 1 2 1
3.9302 3.9302 .0000 -1 -1 3
3.8002 3.8008 -.0006 1 2 2
3.4903 3.4902 .0001 0 -3 0
2.7102 2.7102 .0000 1 -3 1
2.5402 2.5401 .0001 2 3 2
2.4002 2.4002 -.0000 2 4 0
2.3002 2.3002 .0000 2 -2 2
A= 7.2798 DA= .0008
B= 10.822 DB= .001
C= 13.613 DC= .001
GAMMA= 75.981 DGAMMA= .003
BETA = 99.62 DBETA = .01
ALPHA= 88.26 DALPHA= .04
V= 1023.1
16. 19-1721
C16H19FeO
Triklin
Dexp Dcal d(D) h k l
13.3003 13.4773 -.1770 0 0 1
7.0204 7.0221 -.0017 -1 -1 1
6.6206 6.6045 .0161 -1 1 0
6.2804 6.2852 -.0048 -1 1 1
5.6104 5.6000 .0105 -2 0 1
5.3205 5.3404 -.0199 1 1 1
5.0803 5.0824 -.0021 -1 1 2
4.4203 4.4202 .0002 1 -1 2
4.2803 4.2826 -.0023 0 -2 1
4.1603 4.1619 -.0016 -1 -2 1
4.1202 4.1179 .0023 1 1 2
4.0502 4.0467 .0035 -2 -1 3
A= 11.2283 DA= .0001
B= 8.752 DB= .001
C= 14.645 DC= .004
GAMMA= 86.081 DGAMMA= .001
BETA =111.959 DBETA = .008
ALPHA= 98.116 DALPHA= .003
V=1321.6
17. 19-1749
C20H19FeO
Triklin
Dexp Dcal d(D) h k l
11.8008 11.8771 -.0762 0 0 1
7.7907 7.7756 .0151 1 -1 0
7.7208 7.7533 -.0325 1 1 0
7.0504 7.0572 -.0067 0 1 1
6.7206 6.7192 .0014 2 0 0
6.5706 6.5647 .0059 -1 -1 1
6.0703 6.0871 -.0168 -1 1 1
5.9504 5.9385 .0119 0 0 2
5.6803 5.6748 .0055 1 0 2
5.5003 5.4961 .0042 2 -1 0
5.1104 5.1181 -.0077 1 -1 2
4.7604 4.7565 .0039 0 2 0
A= 13.52720 DA= .00004
B= 9.57185 DB= .00001
C= 12.02796 DC= .00008
GAMMA= 90.9042 DGAMMA= .0003
BETA = 83.4389 DBETA = .0007
ALPHA= 96.3597 DALPHA= .0002
V=1540.9
18. 19-1750
C20H19FeO
Triklin
Dexp Dcal d(D) h k l
11.6009 11.6005 .0004 1 0 0
11.4003 11.3929 .0073 0 1 0
8.3508 8.3558 -.0050 0 1 1
7.0106 6.9897 .0209 1 -1 1
6.1905 6.1813 .0091 2 0 1
5.7003 5.6965 .0038 0 2 0
5.3003 5.2943 .0060 1 2 1
5.0794 5.0742 .0052 0 1 2
4.7903 4.8004 -.0100 1 -1 2
4.4904 4.4995 -.0091 -1 2 1
4.1703 4.1703 .0000 -1 -2 1
4.0302 4.0312 -.0009 3 1 1
A= 12.601 DA= .002
B= 11.545 DB= .008
C= 11.59 DC= .01
GAMMA= 85.37 DGAMMA= .05
BETA = 67.05 DBETA = .01
ALPHA= 80.78 DALPHA= .07
V= 1532.7
19. 19-1751
C15H16FeO3
Triklin
Dexp Dcal d(D) h k l
15.5009 15.5015 -.0006 1 0 0
14.2009 14.2491 -.0482 0 1 0
7.6804 7.6815 -.0011 -1 0 1
7.1003 7.0989 .0014 2 0 1
7.0005 7.0109 -.0103 1 -1 1
5.7205 5.7228 -.0022 2 -1 1
5.3203 5.3181 .0021 0 1 2
5.2603 5.2611 -.0008 1 0 2
4.9804 4.9821 -.0017 1 3 1
4.7504 4.7497 .0007 0 3 0
4.5204 4.5215 -.0012 -1 0 2
4.2803 4.2811 -.0008 -1 2 2
A= 16.308 DA= .002
B= 15.146 DB= .009
C= 11.164 DC= .004
GAMMA= 79.28 DGAMMA= .02
BETA = 72.81 DBETA = .03
ALPHA= 71.00 DALPHA= .03
V= 2478.1
20. 19-1752
C15H16FeO3
Triklin
Dexp Dcal d(D) h k l
16.3017 16.3131 -.0115 1 0 0
8.1207 8.1303 -.0095 0 1 0
6.7603 6.7519 .0084 1 0 2
6.0504 6.0592 -.0088 0 -1 1
5.4304 5.4377 -.0073 3 0 0
5.3604 5.3621 -.0017 2 1 0
4.6303 4.6321 -.0018 3 1 1
4.5003 4.5016 -.0013 1 0 3
4.3903 4.3866 .0037 -2 0 2
4.0803 4.0783 .0020 4 0 0
3.8903 3.8922 -.0019 -4 1 0
3.7303 3.7292 .0011 4 1 2
A= 17.286 DA= .001
B= 8.572 DB= .001
C= 14.1034 DC= .0006
GAMMA= 93.28 DGAMMA= .02
BETA = 72.75 DBETA = .05
ALPHA= 73.71 DALPHA= .01
V=1895
Triklin
Dexp Dcal d(D) h k l
16.3017 16.3057 -.0041 1 0 0
8.1207 8.1230 -.0023 -1 1 1
6.7603 6.7564 .0039 1 -1 1
6.0504 6.0533 -.0029 -1 -1 1
5.4304 5.4341 -.0038 -2 0 2
5.3604 5.3567 .0037 1 1 2
4.6303 4.6319 -.0016 3 -1 1
4.5003 4.4988 .0015 -3 1 2
4.3903 4.3905 -.0002 -3 0 2
4.0803 4.0802 .0001 1 -2 1
3.8903 3.8900 .0003 3 -1 2
3.7303 3.7305 -.0003 -4 1 2
A= 16.795 DA= .004
B= 9.2695 DB= .0007
C= 14.304 DC= .002
GAMMA=103.636 DGAMMA= .007
BETA = 95.184 DBETA = .007
ALPHA= 78.472 DALPHA= .001
V= 2118.3
21. 19-1753
C20H18FeO3
Triklin
Dexp Dcal d(D) h k l
8.4704 8.4924 -.0219 1 0 1
7.8303 7.8029 .0274 1 2 0
7.3207 7.3219 -.0011 1 -1 1
6.7604 6.7710 -.0107 -1 2 0
6.1505 6.1553 -.0048 0 3 1
5.6605 5.6604 .0001 0 4 0
5.3604 5.3590 .0015 2 1 1
4.8704 4.8690 .0014 1 2 2
4.7004 4.7004 -.0000 2 0 0
4.5704 4.5685 .0019 -1 4 0
4.1903 4.1909 -.0006 1 4 2
3.9603 3.9535 .0068 2 4 2
3.9003 3.9014 -.0011 2 4 0
A= 10.76 DA= .01
B= 23.537 DB= .005
C= 9.92 DC= .01
GAMMA= 76.51 DGAMMA= .04
BETA = 62.03 DBETA = .08
ALPHA= 76.41 DALPHA= .08
V=2134
22. 19-1754
C20H18FeO3
Triklin
Dexp Dcal d(D) h k l
11.9009 11.8832 .0176 1 1 0
9.7706 9.7797 -.0091 -1 1 0
8.1606 8.1734 -.0128 0 1 1
7.5204 7.5026 .0178 0 -1 1
7.2808 7.2913 -.0105 -1 2 0
6.8105 6.8219 -.0114 1 3 0
6.5804 6.5828 -.0025 -1 1 1
6.2306 6.2219 .0087 0 -2 1
5.9604 5.9416 .0188 2 2 0
5.6103 5.6094 .0009 -2 1 0
5.3303 5.3180 .0123 1 4 0
5.2503 5.2657 -.0154 2 3 0
A= 12.676 DA= .001
B= 21.926 DB= .002
C= 8.4763 DC= .0009
GAMMA= 77.175 DGAMMA= .004
BETA = 88.76 DBETA = .01
ALPHA= 82.745 DALPHA= .003
V=2275
23. 19-1770
C26H26FeO2
Triklin
Dexp Dcal d(D) h k l
14.4009 14.3622 .0387 1 0 0
11.5009 11.5316 -.0307 -1 1 0
9.2605 9.2566 .0039 1 0 1
7.3307 7.3371 -.0064 -2 1 0
7.0803 7.0861 -.0058 0 1 1
6.7105 6.7196 -.0090 1 -2 1
6.4004 6.4015 -.0011 -1 -1 1
5.7603 5.7658 -.0055 -2 2 0
5.2703 5.2794 -.0091 3 -1 1
4.9904 4.9813 .0091 3 -2 1
4.8804 4.8802 .0002 0 2 1
4.8203 4.8112 .0091 -1 2 1
A= 16.092 DA= .008
B= 14.238 DB= .002
C= 10.816 DC= .007
GAMMA=113.24 DGAMMA= .04
BETA = 70.357 DBETA = .009
ALPHA=109.23 DALPHA= .03
V=2089.5
24. 19-1831
C20H24FeN2O4
Triklin
Dexp Dcal d(D) h k l
8.4207 8.4428 -.0221 -1 0 1
7.1807 7.1774 .0032 1 1 0
6.6304 6.6254 .0050 -1 -1 2
6.0504 6.0401 .0102 0 -1 2
5.0304 5.0302 .0002 0 0 3
4.2503 4.2517 -.0014 -1 1 2
4.1903 4.1905 -.0002 1 2 0
4.1002 4.1016 -.0013 1 -1 2
3.9603 3.9638 -.0035 0 2 0
3.8703 3.8685 .0018 -2 -2 2
3.7802 3.7812 -.0009 -2 0 3
3.6603 3.6617 -.0014 -2 -2 3
A= 9.725 DA= .001
B= 8.8564 DB= .0001
C= 16.3933 DC= .0002
GAMMA= 65.5417 DGAMMA= .0005
BETA =110.606 DBETA = .005
ALPHA=107.483 DALPHA= .002
V=1182.9
25. 19-1833
C26H16FeN6Se2
Monoklin
Grupa 7,13
Dexp Dcal d(D) h k l
7.3805 7.3558 .0247 0 1 0
5.9803 5.9704 .0099 1 1 1
5.1202 5.1191 .0012 -1 1 2
4.7403 4.7372 .0031 2 1 1
3.8703 3.8709 -.0005 3 1 0
3.4602 3.4607 -.0005 1 2 1
3.2402 3.2395 .0007 1 2 2
2.2802 2.2797 .0004 2 3 1
2.2101 2.2100 .0002 -5 1 4
a= 13.67 b= 7.356 c= 16.262 beta= 92.67
da=.03 db=.005 dc=.003 dbet=.09
V= 1634
26. 19-1834
C26H16FeN6S2
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
8.6804 8.6809 -.0005 2 0 0
8.0205 8.0200 .0004 0 1 0
7.3106 7.2808 .0299 1 1 0
5.9003 5.8908 .0094 2 1 0
4.6904 4.6930 -.0026 3 1 0
3.8103 3.8173 -.0070 4 1 0
3.3002 3.3012 -.0010 2 0 1
3.3002 3.2961 .0041 3 2 0
3.2002 3.2049 -.0047 1 1 1
2.6102 2.6072 .0030 4 1 1
2.1702 2.1702 -.0001 8 0 0
a=17.362 b= 8.020 c= 3.569
da= .005 db= .006 dc= .001
V= 497.0
27. 19-1838
C19H16FeO3
Triklin
Dexp Dcal d(D) h k l
9.7904 9.7807 .0096 1 1 0
6.3203 6.3335 -.0132 -1 1 1
5.9503 5.9372 .0131 -1 -1 1
5.7704 5.7708 -.0004 1 1 1
5.3604 5.3586 .0019 0 2 1
4.9905 4.9879 .0025 1 2 1
4.9004 4.8904 .0100 2 2 0
4.6602 4.6568 .0035 -1 2 1
4.3403 4.3441 -.0038 -1 -2 1
4.1804 4.1680 .0123 2 1 1
4.0103 4.0090 .0013 2 2 1
3.9003 3.9035 -.0032 1 3 1
A= 12.040 DA= .004
B= 12.487 DB= .002
C= 7.900 DC= .002
GAMMA= 74.05 DGAMMA= .01
BETA =104.12 DBETA = .05
ALPHA= 77.61 DALPHA= .02
V=1056.4
28. 19-1863
C15H13FeNO3
Triklin
Dexp Dcal d(D) h k l
9.3908 9.4067 -.0160 0 1 1
9.0708 9.1009 -.0301 0 -1 1
7.8503 7.8416 .0088 1 0 0
6.8807 6.8808 -.0001 0 1 2
6.7307 6.7186 .0121 -1 -1 1
6.3404 6.3348 .0055 1 1 2
6.2604 6.2399 .0206 1 0 2
5.4204 5.4185 .0019 -1 0 2
5.3804 5.3823 -.0020 1 -1 1
5.2903 5.2873 .0029 0 2 1
4.9604 4.9629 -.0025 1 0 3
4.5503 4.5505 -.0002 0 -2 2
A= 8.50926 DA= .00002
B= 11.81081 DB= .00004
C= 17.39315 DC= .00003
GAMMA= 68.5652 DGAMMA= .0005
BETA = 80.5289 DBETA = .0005
ALPHA= 84.6373 DALPHA= .0004
V=1604
29. 19-1882
C15H11Cl2FeN3
Triklin
Dexp Dcal d(D) h k l
10.8014 10.8276 -.0262 0 1 1
8.1203 8.1207 -.0004 0 -1 1
7.3505 7.3516 -.0011 1 0 0
6.6704 6.6711 -.0007 -1 1 0
6.2704 6.2701 .0003 0 2 0
5.9702 5.9683 .0019 -1 1 2
5.4004 5.4010 -.0006 1 1 1
5.1604 5.1600 .0005 0 -2 1
4.3002 4.3004 -.0002 -1 2 3
4.0603 4.0603 .0000 0 -2 2
3.8602 3.8599 .0003 1 2 2
3.6703 3.6704 -.0001 -1 -2 2
A= 7.7169 DA= .0004
B= 13.311 DB= .002
C= 14.674 DC= .001
GAMMA=101.018 DGAMMA= .002
BETA =106.571 DBETA = .006
ALPHA= 71.426 DALPHA= .007
V= 1361.1
30. 19-1932
C22H38FeO4
Triklin
Dexp Dcal d(D) h k l
10.9008 10.9318 -.0310 0 1 0
9.6508 9.6613 -.0104 -1 0 1
8.7309 8.7350 -.0042 0 -1 1
6.2003 6.1999 .0004 -1 0 2
5.5205 5.5213 -.0007 0 -1 2
5.3104 5.3098 .0006 0 -2 1
4.8003 4.7798 .0205 0 1 2
4.6502 4.6407 .0096 0 2 1
4.4503 4.4361 .0141 1 -1 2
4.2403 4.2411 -.0008 2 -1 1
3.9703 3.9765 -.0062 2 0 1
3.5503 3.5491 .0012 -2 -1 3
A= 11.327 DA= .001
B= 11.7056 DB= .0001
C= 12.655 DC= .008
GAMMA=108.53 DGAMMA= .02
BETA =111.92 DBETA = .06
ALPHA= 91.95 DALPHA= .04
V= 1453.7
31. 19-1944
C3H9Cl3Fe3NO3
Rombik
Groupa 54
Dexp. Dcal. d(D) h k l
12.9001 12.8380 .0621 0 1 0
6.4006 6.4190 -.0184 0 2 0
5.8003 5.8797 -.0794 2 1 0
3.6002 3.5929 .0073 2 3 0
3.2003 3.2025 -.0023 4 1 0
2.7002 2.7018 -.0016 1 1 2
2.3802 2.3793 .0009 3 0 2
2.3402 2.3395 .0007 3 1 2
1.9601 1.9599 .0002 6 3 0
1.9001 1.9004 -.0003 0 5 2
a=13.228 b=12.84 c= 5.65210
da= .009 db= .02 dc= .00003
v= 959.9
32. 19-1947
C15H12FeOS
Triklin
Dexp Dcal d(D) h k l
10.0010 10.0069 -.0059 0 1 1
7.4707 7.4440 .0267 1 1 0
6.7506 6.7524 -.0018 0 -1 1
6.1404 6.1458 -.0054 1 1 2
5.8004 5.8044 -.0040 1 -1 1
5.6403 5.6640 -.0237 0 2 1
5.3203 5.3188 .0015 1 2 1
5.0103 5.0035 .0069 0 2 2
4.7104 4.7108 -.0005 -1 0 2
4.5903 4.5927 -.0024 2 1 0
4.3103 4.3088 .0015 2 0 2
4.1003 4.1010 -.0007 1 2 3
A= 10.279 DA= .003
B= 11.497 DB= .006
C= 13.455 DC= .006
GAMMA= 80.86 DGAMMA= .03
BETA = 74.98 DBETA = .01
ALPHA= 66.34 DALPHA= .02
V=1404.1
33. 19-1949
C18H16FeO
Triklin
Dexp Dcal d(D) h k l
7.7006 7.7598 -.0592 0 1 1
7.2806 7.2629 .0177 0 -1 1
6.4504 6.4503 .0001 1 1 0
6.3605 6.3502 .0103 -1 1 0
5.6004 5.6063 -.0059 -1 0 1
5.3704 5.3602 .0102 -1 1 1
5.2104 5.2324 -.0220 -1 2 0
5.1503 5.1670 -.0167 1 0 1
4.8304 4.8340 -.0035 1 -1 1
4.5303 4.5395 -.0091 -1 -2 1
4.4104 4.4040 .0064 0 -3 1
4.2202 4.2256 -.0054 0 0 2
A= 6.98622 DA= .00001
B= 16.31721 DB= .00006
C= 8.50718 DC= .00000
GAMMA= 89.14538 DGAMMA= .00007
BETA = 94.68119 DBETA = .00004
ALPHA= 85.46088 DALPHA= .00007
V=963.1
1. 20-0198
Ca{AlFe}H{PO}*4H2O
Triklin
Dexp Dcal d(D) h k l
6.2904 6.2914 -.0011 -1 0 1
5.6904 5.6939 -.0035 1 1 0
4.7404 4.7405 -.0001 1 1 1
4.5704 4.5720 -.0015 2 1 0
3.9702 3.9715 -.0013 0 -1 1
3.6203 3.6192 .0011 -3 1 1
3.2502 3.2511 -.0008 0 0 2
3.1602 3.1602 .0001 -4 0 1
3.1511 3.1457 .0054 -2 0 2
3.0602 3.0586 .0017 1 2 0
2.9602 2.9586 .0016 -2 2 1
2.8802 2.8819 -.0017 -3 1 2
A= 13.314 DA= .001
B= 6.5431 DB= .0005
C= 6.908 DC= .001
GAMMA= 91.89 DGAMMA= .01
BETA =100.47 DBETA = .01
ALPHA= 73.12 DALPHA= .01
V=566.1
2. 20-0504
{NH4}3FeHPO4P2O7
Triklin
Dexp Dcal d(D) h k l
7.8506 7.8632 -.0127 0 1 1
7.3105 7.2990 .0115 1 0 0
6.5804 6.5843 -.0039 0 -1 1
5.1303 5.1341 -.0038 1 1 1
4.6703 4.6672 .0031 1 -1 1
4.0602 4.0607 -.0005 -1 1 2
3.9403 3.9316 .0087 0 2 2
3.6802 3.6836 -.0034 1 1 2
3.5003 3.4978 .0025 2 1 0
3.4503 3.4527 -.0024 -2 1 0
3.3902 3.3960 -.0057 1 3 0
3.3002 3.3006 -.0004 1 3 1
A= 7.351 DA= .005
B= 11.564 DB= .005
C= 9.385 DC= .007
GAMMA= 89.94 DGAMMA= .04
BETA = 96.67 DBETA = .01
ALPHA= 79.73 DALPHA= .01
V= 779.4
3. 20-0505
{NH4}3FeHPO4P2O7*H2O
Triklin
Dexp Dcal d(D) h k l
8.2910 8.2872 .0037 0 0 1
7.6390 7.6210 .0179 0 1 1
5.1903 5.1860 .0043 0 -2 1
4.6804 4.6838 -.0034 2 0 1
4.5704 4.5702 .0002 1 0 2
4.3504 4.3512 -.0009 2 -1 1
3.9203 3.9192 .0011 2 0 2
3.8702 3.8663 .0039 0 -1 2
3.8103 3.8105 -.0002 0 2 2
3.7103 3.7100 .0003 2 2 0
3.5003 3.5003 .0000 1 4 1
3.4303 3.4328 -.0025 0 -2 2
A= 9.4397 DA= .0008
B= 14.809 DB= .006
C= 9.256 DC= .001
GAMMA= 85.55 DGAMMA= .05
BETA = 64.43 DBETA = .01
ALPHA= 81.80 DALPHA= .07
V=1152
4. 20-0506
{NH4}2FeP2O7*2H2O
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
9.2412 9.3300 -.0888 1 0 0
7.4705 7.4700 .0005 0 1 0
4.8004 4.7889 .0115 1 0 1
4.7003 4.6650 .0353 2 0 0
2.7902 2.7900 .0002 0 0 2
a= 9.330 b= 7.470 c= 5.580
da= .001 db= .001 dc= .001
V= 388.9
5. 20-0507
{NH4}6Fe{P2O7}2*6H2O
Triklin
Dexp Dcal d(D) h k l
8.7003 8.7006 -.0003 1 2 0
7.8208 7.8153 .0054 2 0 0
6.5707 6.5692 .0015 2 2 0
6.1605 6.1612 -.0006 1 3 0
5.3403 5.3340 .0063 2 3 0
4.6403 4.6420 -.0016 1 1 1
4.4804 4.4821 -.0017 1 -1 1
4.3603 4.3641 -.0038 0 2 1
4.0803 4.0812 -.0009 1 -2 1
4.0304 4.0312 -.0008 -2 -1 1
3.9603 3.9617 -.0014 4 1 0
3.5202 3.5175 .0027 -2 -3 1
A= 15.8738 DA= .0002
B= 18.98742 DB= .00001
C= 4.87790 DC= .00006
GAMMA= 80.1963 DGAMMA= .0002
BETA = 87.5890 DBETA = .0001
ALPHA= 88.2405 DALPHA= .0002
V=1447.9
6. 20-0510
Fe{PO2Cl2}3
Triklin
Dexp Dcal d(D) h k l
10.1006 10.0904 .0103 1 0 0
9.3111 9.2976 .0136 0 1 1
8.4208 8.4164 .0044 -1 0 1
7.5402 7.5636 -.0234 0 -1 1
6.1103 6.1101 .0002 0 0 2
5.6103 5.6072 .0030 -1 0 2
5.1004 5.1117 -.0113 -2 1 1
4.7704 4.7717 -.0013 0 -2 1
4.5603 4.5474 .0130 1 -2 1
4.4503 4.4454 .0049 -2 1 2
4.2704 4.2680 .0023 2 1 0
4.1102 4.1090 .0012 0 1 3
A= 10.56731 DA= .00001
B= 11.95840 DB= .00001
C= 12.74728 DC= .00003
GAMMA=105.10100 DGAMMA= .00001
BETA =101.69200 DBETA = .00003
ALPHA= 75.7794 DALPHA= .0001
V=1492.0
7. 20-0516
FeGe
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
7.2602 7.2484 .0118 2 0 0
6.3806 6.3821 -.0015 0 1 0
5.8205 5.8411 -.0206 1 1 0
4.4203 4.4083 .0120 0 1 2
4.2304 4.2176 .0128 1 1 2
3.8702 3.8525 .0177 3 1 0
3.7703 3.7664 .0039 2 1 2
3.6303 3.6242 .0061 4 0 0
3.5503 3.5449 .0054 2 0 3
3.4703 3.4740 -.0037 4 0 1
3.2603 3.2567 .0035 3 1 2
3.1902 3.1911 -.0008 0 2 0
a=14.50 b= 6.382 c=12.19
da= .01 db= .003 dc= .01
V=1128
8. 20-0517
FeH2P2O7
Triklin
Dexp Dcal d(D) h k l
7.3804 7.3833 -.0029 0 2 0
3.5403 3.5396 .0007 -1 1 1
3.5002 3.5008 -.0005 3 0 0
3.4602 3.4602 .0000 2 4 0
3.2702 3.2706 -.0004 3 3 0
3.0102 3.0097 .0005 -2 1 1
2.9112 2.9078 .0034 2 5 0
2.7392 2.7394 -.0002 2 4 1
2.6862 2.6868 -.0007 3 2 1
2.6272 2.6256 .0016 4 0 0
2.5992 2.5988 .0004 -3 -1 1
2.5612 2.5628 -.0016 -3 3 0
A= 10.8624 DA= .0002
B= 15.3876 DB= .0007
C= 3.89291 DC= .00007
GAMMA= 75.210 DGAMMA= .001
BETA = 88.0268 DBETA = .0009
ALPHA= 82.7347 DALPHA= .0006
V=623.7
9. 20-0518
FeH3{PO4}2*4H2O
Triklin
Dexp Dcal d(D) h k l
7.2008 7.2000 .0008 0 0 1
5.5604 5.5624 -.0019 -1 -1 1
5.2304 5.2277 .0027 0 -2 1
4.8504 4.8551 -.0047 -1 1 1
4.0803 4.0845 -.0042 1 1 1
3.7903 3.7881 .0022 1 2 1
3.6002 3.6000 .0003 0 0 2
3.4402 3.4388 .0014 -1 -2 2
3.3202 3.3227 -.0025 0 -4 1
3.2502 3.2490 .0013 0 4 1
3.2002 3.2012 -.0010 0 2 2
2.9802 2.9792 .0010 1 -3 1
A= 6.55302 DA= .00009
B= 15.1527 DB= .0002
C= 7.56189 DC= .00005
GAMMA= 77.16074 DGAMMA= .00006
BETA =107.738 DBETA = .001
ALPHA= 95.3651 DALPHA= .0006
V=697.2
10. 20-0519
FeH9{PO4}4
Triklin
Dexp Dcal d(D) h k l
8.8604 8.8843 -.0239 -1 0 1
6.1304 6.1238 .0066 0 1 0
4.7104 4.7116 -.0012 1 0 3
4.0304 4.0316 -.0013 2 0 2
3.7403 3.7406 -.0003 0 1 4
3.6403 3.6435 -.0032 -2 -1 2
3.3702 3.3689 .0013 -1 0 5
3.0602 3.0619 -.0016 0 2 0
3.0202 3.0177 .0025 -2 1 4
2.9203 2.9195 .0007 -1 -2 1
2.4002 2.3988 .0014 3 1 4
2.3402 2.3396 .0006 2 2 4
A= 9.785 DA= .003
B= 6.1908 DB= .0001
C= 17.446 DC= .006
GAMMA= 85.13 DGAMMA= .03
BETA = 95.899 DBETA = .008
ALPHA= 83.67 DALPHA= .03
V=1039.1
11. 20-0520
Fe{H2PO4}2*2H2O
Monoklin
Rombik
Groupa 50
Dexp. Dcal. d(D) h k l
5.8504 5.8809 -.0305 1 1 1
4.7003 4.6962 .0041 1 1 2
4.5004 4.5044 -.0040 0 0 3
4.1002 4.1106 -.0104 2 1 1
3.8103 3.8080 .0024 1 2 1
3.6403 3.6367 .0035 2 1 2
3.4202 3.4221 -.0019 1 2 2
3.3403 3.3400 .0003 2 0 3
3.1802 3.1745 .0057 2 2 1
3.0202 3.0203 -.0000 3 1 1
3.0002 3.0007 -.0005 1 1 4
2.9402 2.9404 -.0002 2 2 2
a= 9.956 b= 8.655 c=13.513
da= .001 db= .001 dc= .004
V=1164.
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
5.8504 5.8792 -.0288 1 1 0
4.7003 4.7000 .0003 0 1 1
4.5004 4.5023 -.0019 1 0 1
4.1002 4.1031 -.0029 1 1 1
3.8103 3.8106 -.0003 -1 1 1
3.6403 3.6404 -.0002 2 0 0
3.6403 3.6401 .0002 0 2 1
3.4202 3.4195 .0007 2 1 0
3.3403 3.3408 -.0005 1 2 1
3.1802 3.1771 .0031 -1 2 1
3.0002 2.9980 .0021 2 1 1
2.9402 2.9396 .0006 2 2 0
2.8202 2.8194 .0009 0 3 1
a= 7.312 b= 9.967 c= 5.352 beta= 84.722
da=.006 db=.002 dc=.003 dbet=.001
V= 388.4
12. 20-0530
KFeH14{PO4}8*4H2O
Triklin
Dexp Dcal d(D) h k l
9.7103 9.7118 -.0015 1 0 0
8.7709 8.7687 .0022 0 1 0
4.3803 4.3821 -.0018 0 -1 2
3.8203 3.8207 -.0004 -1 2 0
3.7603 3.7610 -.0008 2 -1 1
3.7003 3.7000 .0003 -2 -2 1
3.2703 3.2703 -.0000 1 2 1
3.2403 3.2373 .0030 3 0 0
3.0702 3.0688 .0015 -2 2 0
3.0103 3.0098 .0005 2 0 2
2.9203 2.9205 -.0002 -3 1 0
2.8302 2.8289 .0013 -3 -1 2
A= 9.896 DA= .002
B= 9.5263 DB= .0001
C= 8.9251 DC= .0001
GAMMA= 80.234 DGAMMA= .004
BETA = 98.464 DBETA = .007
ALPHA=111.92 DALPHA= .01
V= 766.1
13. 20-0627
LiFe5O8
Groupa 27
Dexp. Dcal. d(D) h k l
5.8202 5.8420 -.0218 1 0 0
4.7702 4.7782 -.0080 1 1 0
4.1201 4.1525 -.0323 0 2 0
3.6901 3.7079 -.0178 1 1 1
3.3701 3.3846 -.0145 1 2 0
2.9301 2.9332 -.0031 1 2 1
2.7501 2.7555 -.0055 2 1 0
2.6201 2.6257 -.0056 1 0 2
2.5001 2.5017 -.0016 1 3 0
2.3851 2.3891 -.0040 2 2 0
2.3001 2.3019 -.0018 1 3 1
2.2200 2.2193 .0008 1 2 2
a= 5.84 b= 8.305 c= 5.879
da= .01 db= .004 dc= .008
v= 285
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.8202 5.8313 -.0111 0 0 1
4.7702 4.7726 -.0024 0 1 1
4.1201 4.1194 .0008 1 0 1
3.6901 3.6904 -.0003 1 1 1
3.3701 3.3828 -.0127 0 2 1
2.9301 2.9313 -.0012 2 0 0
2.7501 2.7511 -.0010 0 1 2
2.6201 2.6183 .0018 -1 0 2
2.5001 2.5011 -.0010 0 3 1
2.3851 2.3863 -.0012 0 2 2
2.3001 2.2979 .0022 1 3 1
2.2200 2.2200 .0001 -2 2 1
a= 5.863 b= 8.3061 c= 5.83 beta= 90.41
da=.003 db=.0005 dc=.02 dbet=.04
V= 283.9
14. 20-1717
C24H42Cl2FeN6O14
Triklin
Dexp Dcal d(D) h k l
9.6308 9.6128 .0180 1 0 0
8.9106 8.9264 -.0158 0 1 0
6.4002 6.3994 .0008 0 0 1
6.3006 6.3069 -.0063 0 -1 1
5.5303 5.5285 .0018 -1 1 0
4.8104 4.8064 .0040 2 0 0
4.4303 4.4297 .0006 0 -2 1
4.1703 4.1720 -.0017 2 0 1
3.8602 3.8599 .0003 -2 -2 1
3.5803 3.5815 -.0012 -2 0 1
3.2002 3.1997 .0005 0 0 2
A= 10.497 DA= .009
B= 10.227 DB= .002
C= 6.8014 DC= .0006
GAMMA= 68.03 DGAMMA= .05
BETA = 88.53 DBETA = .01
ALPHA=107.68 DALPHA= .05
V= 637.1
15. 20-1718
C26H16FeN6
Triklin
Dexp Dcal d(D) h k l
13.7020 13.7010 .0010 0 1 0
9.8205 9.8209 -.0004 1 0 0
8.3609 8.3619 -.0010 -1 1 0
7.6209 7.6223 -.0014 -1 0 1
7.0703 7.0724 -.0021 -1 1 1
6.1306 6.1386 -.0079 0 0 2
4.8403 4.8378 .0026 1 -1 2
3.9002 3.9005 -.0003 2 -2 1
3.7202 3.7200 .0002 2 2 1
3.3203 3.3198 .0004 2 -3 1
2.9402 2.9401 .0000 1 0 4
2.7402 2.7402 -.0000 0 5 0
2.5602 2.5600 .0002 -3 1 3
2.0801 2.0801 -.0000 0 -3 5
A= 9.864 DA= .001
B= 13.826 DB= .005
C= 12.3354 DC= .0009
GAMMA= 95.341 DGAMMA= .004
BETA = 89.80 DBETA = .02
ALPHA= 84.48 DALPHA= .01
V= 1667.1
16. 20-1719
C26H16F4FeN6Si
Triklin
Dexp Dcal d(D) h k l
12.0004 11.9873 .0131 1 0 0
8.6607 8.6582 .0025 1 1 1
8.3609 8.3693 -.0084 1 0 1
6.9205 6.9216 -.0011 -1 1 0
6.1104 6.1149 -.0044 1 2 1
5.2405 5.2405 -.0001 -1 1 1
4.8904 4.8920 -.0016 -1 -2 1
4.5403 4.5411 -.0008 -2 1 0
4.1402 4.1402 .0001 0 -1 2
3.9202 3.9198 .0004 3 2 2
3.4803 3.4799 .0004 0 -2 2
2.7302 2.7301 .0000 4 3 3
2.4902 2.4903 -.0001 0 3 3
2.3502 2.3501 .0000 -4 -1 2
2.2602 2.2601 .0001 -1 4 2
A= 14.493 DA= .001
B= 13.8198 DB= .0006
C= 9.680 DC= .001
GAMMA= 58.966 DGAMMA= .005
BETA = 70.267 DBETA = .01
ALPHA= 76.522 DALPHA= .007
V=1559.5
17. 20-1720
C26H16F8FeGe2N6
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
11.2012 11.1080 .0932 0 1 0
9.5412 9.6373 -.0961 1 1 0
7.2605 7.3022 -.0417 2 1 0
6.2403 6.2487 -.0084 0 0 1
5.2503 5.2515 -.0012 2 0 1
4.8104 4.8186 -.0082 2 2 0
4.4904 4.4914 -.0010 3 0 1
4.1402 4.1512 -.0110 0 2 1
3.8302 3.8290 .0013 4 0 1
3.5003 3.4924 .0080 3 2 1
2.9402 2.9420 -.0018 4 3 0
2.7502 2.7489 .0012 1 4 0
a=19.38 b=11.11 c= 6.249
da= .01 db= .01 dc= .008
V=1345
18. 20-1721
C26H16F4FeGeN6
Monoklin
Grupa 3,6,10
Dexp Dcal d(D) h k l
12.0004 12.0171 -.0167 1 0 0
8.6303 8.6387 -.0083 1 1 0
7.0306 7.0263 .0043 -1 0 1
6.1104 6.1163 -.0059 -1 1 1
5.5204 5.5194 .0010 1 2 0
5.2405 5.2428 -.0023 1 2 1
4.8904 4.8843 .0061 2 0 2
4.5403 4.5458 -.0055 2 1 2
4.1402 4.1423 -.0021 0 3 0
3.8702 3.8702 .0000 3 0 2
3.4803 3.4824 -.0021 0 1 3
2.7302 2.7291 .0011 0 3 3
a= 12.682500 b= 12.427 c= 11.49 beta= 71.35
da=.009 db=.007 dc=.01 dbet=.09
V= 1715
19. 20-1723
C4H11Cl4Fe4NO4
Tetrag.
Groupa 105,112,131
Dexp. Dcal. d(D) h k l
11.7004 11.8441 -.1437 1 0 0
5.8484 5.8736 -.0330 1 1 1
3.7502 3.7454 .0048 3 1 0
3.6803 3.6967 -.0164 1 1 2
3.4103 3.4097 .0006 3 1 1
2.7152 2.7125 .0027 4 1 1
2.4412 2.4382 .0030 2 1 3
2.3562 2.3564 -.0002 4 1 2
2.3222 2.3228 -.0007 5 1 0
2.0292 2.0293 -.0001 4 4 1
1.9471 1.9472 -.0000 6 1 0
1.9061 1.9065 -.0003 4 2 3
a=11.844 c= 8.24
da= .004 dc= .02
v=1156
20. 20-1724
C2H7Cl3Fe3NO3
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.7004 11.6961 .0043 1 0 0
5.8506 5.8481 .0025 2 0 0
3.7502 3.7435 .0067 0 1 0
3.4103 3.4054 .0049 3 0 3
2.8672 2.8671 .0001 2 1 3
2.7902 2.7899 .0003 -4 0 2
2.6992 2.7003 -.0011 3 1 0
2.5142 2.5131 .0011 0 0 8
2.3612 2.3625 -.0013 -3 1 4
2.2002 2.2039 -.0037 1 0 9
1.9541 1.9538 .0004 5 1 2
1.9541 1.9530 .0012 -2 1 8
a= 11.699 b= 3.74 c= 20.1102 beta= 88.63
da=.001 db= .02 dc= .0005 dbet=.08
V= 880.5
Triklin
Dexp Dcal d(D) h k l
11.7004 11.6975 .0029 1 0 0
5.8506 5.8487 .0018 2 0 0
3.7502 3.7488 .0014 -2 -1 1
3.4103 3.4104 -.0001 2 -1 1
2.8672 2.8680 -.0008 -1 -2 1
2.7902 2.7858 .0044 -1 2 0
2.6992 2.6992 -.0001 -2 -2 1
2.5142 2.5158 -.0016 4 0 1
2.3612 2.3603 .0008 2 0 2
2.2002 2.1998 .0004 2 2 1
1.9541 1.9546 -.0004 1 3 0
1.9001 1.9001 .0000 6 1 0
A= 11.763 DA= .001
B= 6.0800 DB= .0004
C= 5.4209 DC= .0007
GAMMA= 84.320 DGAMMA= .007
BETA = 93.42 DBETA = .01
ALPHA=104.65 DALPHA= .02
V= 373.0
21. 20-1725
C3H9Cl3Fe3NO3
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
12.9001 12.8402 .0598 1 0 0
6.4006 6.4201 -.0195 2 0 0
5.8003 5.7760 .0243 2 0 1
3.6002 3.5935 .0067 3 0 2
3.2003 3.2030 -.0028 1 0 4
3.2003 3.2101 -.0098 4 0 0
2.7002 2.7016 -.0014 1 1 1
2.3802 2.3793 .0009 0 1 3
2.3402 2.3394 .0007 1 1 3
1.9601 1.9602 -.0001 3 0 6
1.9001 1.9005 -.0004 5 1 0
a=12.84 b= 2.8258 c=13.230
da= .02 db= .0005 dc= .004
V= 480.1
22. 20-1726
C6H15Cl4Fe4NO4
Geksagon
Groupa 169,170,178,179
Dexp. Dcal. d(D) h k l
12.1005 11.9955 .1051 1 0 0
6.0106 5.9977 .0128 2 0 0
3.7403 3.7427 -.0024 1 0 2
3.4202 3.4242 -.0040 1 1 2
2.9982 2.9989 -.0006 4 0 0
2.5682 2.5655 .0027 1 0 3
2.3832 2.3861 -.0030 4 0 2
1.9991 1.9992 -.0001 6 0 0
1.8951 1.8945 .0006 1 1 4
1.8711 1.8713 -.0002 2 0 4
1.7151 1.7160 -.0009 4 2 3
1.6601 1.6591 .0010 6 1 2
a= 13.851 c= 7.8787
da=.009 dc=.0005
V=1309
23. 20-1727
C15H11Br2FeN3
Triklin
Dexp Dcal d(D) h k l
7.2504 7.2607 -.0103 1 0 0
6.9008 6.8928 .0080 0 1 1
5.6803 5.6829 -.0026 0 -1 1
5.1805 5.1812 -.0007 -1 -1 1
4.8202 4.8247 -.0045 -1 1 0
4.4603 4.4613 -.0010 -1 1 2
4.1302 4.1318 -.0016 -1 -1 2
3.8803 3.8787 .0016 1 1 2
3.5003 3.5033 -.0030 -2 -1 1
3.2402 3.2371 .0031 -1 -1 3
3.1002 3.0982 .0020 -2 0 3
3.0202 3.0199 .0003 1 0 3
2.9402 2.9425 -.0024 -1 0 4
2.3202 2.3201 .0000 -3 1 2
2.2402 2.2401 .0001 3 0 1
2.0901 2.0901 .0001 0 3 4
A= 7.61539 DA= .00007
B= 7.6096 DB= .0004
C= 12.023 DC= .001
GAMMA= 84.18 DGAMMA= .04
BETA =105.21 DBETA = .05
ALPHA= 80.02 DALPHA= .004
V= 654.21
24. 20-1728
C15H11Cl2FeN3
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
11.8003 11.8615 -.0611 0 0 1
9.6006 9.6442 -.0436 1 1 0
8.6609 8.6528 .0081 -1 1 1
7.2504 7.2474 .0030 0 2 0
6.3203 6.3207 -.0004 1 2 0
5.9404 5.9307 .0097 0 0 2
5.0605 5.0542 .0063 -2 1 2
4.7104 4.7224 -.0120 2 1 1
4.3103 4.3062 .0041 3 0 0
3.7703 3.7687 .0017 2 0 2
3.6003 3.5985 .0017 -2 3 2
3.4903 3.4894 .0009 -3 1 3
a= 13.763740 b=14.4947 c= 12.637 beta= 110.1
da=.009 db=.0005 dc=.006 dbet=.1
V= 2366.4
Triklin
Dexp Dcal d(D) h k l
11.8003 11.8104 -.0100 1 0 0
9.6006 9.6031 -.0026 1 -1 0
8.6609 8.6952 -.0343 0 0 1
7.2504 7.2617 -.0114 -1 0 1
6.3203 6.3314 -.0111 1 1 0
5.9404 5.9052 .0352 2 0 0
5.0605 5.0612 -.0007 -2 0 1
4.7104 4.7126 -.0022 1 -2 1
4.3103 4.3087 .0016 2 -2 1
3.7703 3.7697 .0006 -1 -2 1
3.6003 3.6028 -.0025 3 -2 1
3.4903 3.4912 -.0009 3 0 1
A= 12.904 DA= .001
B= 10.595 DB= .002
C= 8.760 DC= .001
GAMMA=113.41 DGAMMA= .03
BETA = 91.663 DBETA = .009
ALPHA= 95.54 DALPHA= .01
V= 1091.0
25. 20-1728
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
7.3106 7.3053 .0053 1 1 0
4.5004 4.5045 -.0042 -1 0 1
4.1703 4.1697 .0006 -1 1 1
3.4503 3.4485 .0018 -2 0 1
3.2902 3.2912 -.0010 -2 1 1
3.1202 3.1192 .0010 3 1 0
3.0202 3.0209 -.0007 0 3 1
2.8802 2.8847 -.0045 3 0 1
2.7902 2.7907 -.0005 3 1 1
2.6502 2.6516 -.0014 1 4 0
2.2702 2.2688 .0014 3 3 1
2.1502 2.1501 .0001 1 5 0
a= 9.79 b=11.021 c= 5.328 beta= 85.11
da= .01 db= .009 dc=.002 dbet=.05
V= 572.9
26. 20-1896
C6H6FeN2O10Rb*H2O
Triklin
Dexp Dcal d(D) h k l
7.2807 7.2771 .0035 0 1 1
6.2602 6.2562 .0041 0 -1 1
4.9663 4.9678 -.0014 -1 2 1
3.9003 3.9035 -.0032 -2 2 1
3.5303 3.5305 -.0002 -1 -1 2
3.3002 3.2994 .0008 -2 0 2
3.2302 3.2315 -.0013 -2 3 1
2.7102 2.7115 -.0013 0 -1 3
2.6702 2.6695 .0007 -2 2 3
2.5502 2.5503 -.0001 3 1 0
2.4502 2.4503 -.0001 1 -4 1
2.3102 2.3107 -.0005 1 4 0
A= 9.009 DA= .001
B= 11.0702 DB= .0009
C= 9.0650 DC= .0009
GAMMA=108.07 DGAMMA= .05
BETA =101.52 DBETA = .06
ALPHA= 78.26 DALPHA= .01
V= 832.4