1-0044
Fe[{CH3}2AsO2]3
Monoklin
Grupa 7,13
Dexp Dcal d(D) h k l
10.0010 9.9900 .0110 0 1 0
7.6999 7.6383 .0616 1 1 0
5.3007 5.2998 .0008 1 1 1
5.1002 5.0965 .0037 2 1 0
4.3703 4.3777 -.0074 -2 1 1
3.7304 3.7423 -.0119 -1 0 2
3.3404 3.3412 -.0008 -2 0 2
3.2303 3.2317 -.0014 3 1 1
3.0603 3.0564 .0039 0 3 1
2.9802 2.9804 -.0002 -1 3 1
2.8402 2.8405 -.0003 4 1 0
2.6602 2.6620 -.0018 3 0 2
a= 11.882600 b= 9.990 c= 7.720 beta= 94.164
da=.003 db=.001 dc=.002 dbet=.009
V= 914.0
Triklin
10.0010 10.0068 -.0058 1 0 0
7.6999 7.7006 -.0007 0 1 0
5.3007 5.2999 .0008 -1 0 2
5.1002 5.1146 -.0145 0 0 2
4.3703 4.3652 .0051 0 -1 2
3.7304 3.7330 -.0026 -1 2 1
3.3404 3.3403 .0000 -1 -2 1
3.2303 3.2309 -.0006 -1 -1 3
3.0603 3.0601 .0002 0 1 3
2.9802 2.9800 .0003 -2 -1 3
2.8402 2.8392 .0011 3 1 0
2.6602 2.6587 .0015 1 1 3
A= 10.832 DA= .001
B= 7.900 DB= .001
C= 10.810 DC= .006
GAMMA=102.58 DGAMMA= .02
BETA =108.65 DBETA = .03
ALPHA= 88.74 DALPHA= .01
V= 854.4
1-0055
C21H15FeO9
Triklin
Dexp Dcal d(D) h k l
9.8009 9.7948 .0061 1 0 0
8.3003 8.3240 -.0237 0 1 0
7.0002 6.9980 .0022 -1 0 1
5.7007 5.6989 .0018 -1 -1 1
5.1002 5.0983 .0019 0 -1 2
4.7103 4.7148 -.0045 1 -1 2
4.4902 4.4864 .0038 -1 0 2
4.0003 4.0002 .0001 2 1 0
3.9005 3.9041 -.0036 -2 -1 1
3.5103 3.5114 -.0011 2 -2 1
3.4001 3.3964 .0037 -2 2 0
3.1902 3.1898 .0003 1 2 1
A= 9.897 DA= .002
B= 8.837 DB= .003
C= 10.73 DC= .01
GAMMA= 98.19 DGAMMA= .03
BETA = 86.48 DBETA = .08
ALPHA=108.21 DALPHA= .02
V= 882.0
1-0060
C6H10FeO6*3H2O
Triklin
Dexp Dcal d(D) h k l
9.5008 9.5056 -.0048 -1 1 0
7.0002 6.9999 .0003 -1 2 0
6.3009 6.3013 -.0004 0 -1 1
5.5005 5.5008 -.0003 0 -2 1
5.2005 5.1988 .0017 -1 3 0
4.7005 4.7093 -.0088 0 2 1
4.5001 4.4957 .0044 -1 2 1
4.3003 4.3008 -.0005 1 -3 1
4.1005 4.1056 -.0051 -2 3 0
3.7003 3.6987 .0016 1 4 0
3.5203 3.5185 .0018 3 0 0
3.3203 3.3220 -.0017 0 5 0
A= 10.657 DA= .001
B= 16.9649 DB= .0008
C= 6.465 DC= .001
GAMMA= 97.36 DGAMMA= .01
BETA = 91.757 DBETA = .001
ALPHA= 98.879 DALPHA= .001
V=1143.4
1-0095
Na4Fe{Ca}6*10H2O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
7.4001 7.3752 .0249 -1 0 1
6.7004 6.7258 -.0253 1 1 1
6.3009 6.3374 -.0364 2 0 1
5.8007 5.7920 .0087 2 1 0
4.8002 4.8134 -.0132 1 2 0
4.4505 4.4524 -.0019 1 1 2
4.2101 4.2080 .0021 -1 2 1
4.0003 4.0147 -.0144 -1 1 2
3.7801 3.7825 -.0024 3 0 2
3.5103 3.5105 -.0001 4 0 0
3.0901 3.0905 -.0004 -3 0 2
2.9703 2.9714 -.0011 3 0 3
a= 14.330 b= 10.2478 c=10.001 beta= 78.482
da=.001 db=.0004 dc=.001 dbet=.003
V= 1439.1
1-0100
FeNH4{SO4}2*12H2O
Triklin
Dexp Dcal d(D) h k l
9.1999 9.1949 .0049 0 0 1
8.1998 8.2144 -.0146 -1 1 0
7.0002 7.0144 -.0142 -1 1 1
5.9007 5.9064 -.0056 -1 0 1
5.5005 5.5073 -.0068 1 -1 1
4.7201 4.7285 -.0084 -1 2 0
4.5101 4.5122 -.0021 1 0 2
4.1404 4.1359 .0046 -2 2 1
3.7202 3.7226 -.0024 2 1 1
3.5702 3.5684 .0017 1 2 2
3.4001 3.3986 .0015 1 2 0
3.2903 3.2921 -.0017 0 2 3
A= 10.110 DA= .001
B= 10.368 DB= .003
C= 10.297 DC= .003
GAMMA=111.47 DGAMMA= .02
BETA = 88.21 DBETA = .01
ALPHA= 66.03 DALPHA= .01
V=896.2
1-0101
FeNH4{SO4}2*12H2O
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
1.6501 1.6502 -.0001 2 2 1
1.6101 1.6100 .0001 0 3 0
1.5701 1.5703 -.0002 1 3 0
1.5201 1.5202 -.0001 4 0 1
1.4501 1.4501 -.0000 4 1 1
1.4001 1.4002 -.0001 0 1 2
a= 7.117 b= 4.830 c= 2.926
da= .001 db= .001 dc= .001
V= 100.58
1-0102
c6H12FeN3O12
Triklin
Dexp Dcal d(D) h k l
7.0002 6.9823 .0178 -1 1 0
5.0006 5.0015 -.0009 1 1 0
4.5001 4.5185 -.0184 -1 -1 2
4.2001 4.2097 -.0095 1 0 2
3.6202 3.6261 -.0059 2 0 0
3.5203 3.5216 -.0013 1 -1 3
3.3502 3.3479 .0024 -1 2 2
3.1902 3.1957 -.0055 0 2 2
2.9002 2.9021 -.0019 -2 3 0
2.7302 2.7272 .0030 -1 -3 2
2.6302 2.6293 .0009 1 2 2
2.5603 2.5603 -.0000 1 -3 4
A= 7.712 DA= .001
B= 10.4629 DB= .0009
C= 12.436 DC= .004
GAMMA=107.24 DGAMMA= .01
BETA = 94.23 DBETA = .01
ALPHA=106.97 DALPHA= .03
V=903.0
Triklin
Dexp Dcal d(D) h k l
7.0002 7.0043 -.0041 -1 0 1
5.0006 5.0073 -.0067 0 2 1
4.5001 4.5075 -.0073 0 -2 1
4.2001 4.2045 -.0044 -2 0 1
3.6202 3.6210 -.0008 -1 0 3
3.5203 3.5196 .0007 1 2 3
3.3502 3.3489 .0013 -1 -2 2
3.1902 3.1904 -.0002 -2 -2 1
2.9002 2.9005 -.0003 -2 0 3
2.7302 2.7305 -.0002 2 -2 3
2.6302 2.6299 .0003 -2 2 3
2.5603 2.5609 -.0006 0 1 5
A= 9.7338 DA= .0003
B= 10.3415 DB= .0001
C= 13.1273 DC= .0005
GAMMA= 87.291 DGAMMA= .005
BETA = 78.517 DBETA = .002
ALPHA= 80.930 DALPHA= .003
V=1278.8
1-0108
C6FeK3O12*3H2O
Triklin
Dexp Dcal d(D) h k l
10.2018 10.2183 -.0165 -1 1 0
6.9004 6.9061 -.0057 0 2 0
6.6004 6.5709 .0295 -2 1 0
4.9604 4.9620 -.0016 2 2 0
4.6806 4.6629 .0176 -3 1 0
4.4302 4.4310 -.0008 -1 3 0
4.0902 4.0892 .0010 -1 0 1
3.6103 3.6095 .0007 -2 1 1
3.4804 3.4799 .0005 0 -2 1
3.3404 3.3399 .0004 1 4 0
3.1603 3.1614 -.0011 -2 4 0
3.0301 3.0323 -.0022 -2 -2 1
A= 14.79 DA= .01
B= 13.965 DB= .009
C= 4.4603 DC= .0007
GAMMA= 90.81 DGAMMA= .08
BETA = 84.14 DBETA = .08
ALPHA= 81.68 DALPHA= .07
V=904.6
1-0119
Fe3{AsO4}2*6H2O
Triklin
Dexp Dcal d(D) h k l
9.0003 8.9966 .0037 1 0 0
6.7004 6.6999 .0005 0 1 0
3.9901 3.9933 -.0032 -2 -1 1
3.7003 3.6996 .0007 1 -1 1
3.3601 3.3651 -.0050 -2 1 1
3.1802 3.1804 -.0001 -1 -1 2
2.9502 2.9493 .0009 -1 2 0
2.8203 2.8179 .0024 2 -1 1
2.7203 2.7190 .0013 -2 1 2
2.6302 2.6302 .0000 -3 0 2
2.5502 2.5505 -.0003 -3 1 0
2.3201 2.3207 -.0006 -3 1 2
A= 9.5650 DA= .0004
B= 6.8493 DB= .0002
C= 7.031 DC= .001
GAMMA= 78.053 DGAMMA= .003
BETA =106.13 DBETA = .01
ALPHA= 92.447 DALPHA= .006
V= 432.9
1-0124
Fe{NO3}3*9H2O
Triklin
Dexp Dcal d(D) h k l
6.5983 6.5880 .0102 0 1 1
5.5988 5.6014 -.0026 0 -1 1
4.9090 4.9082 .0008 -1 0 1
4.5191 4.5111 .0080 1 -1 1
4.0992 4.0982 .0010 0 2 0
3.8091 3.8117 -.0027 1 0 2
3.6392 3.6385 .0007 -1 2 0
3.4492 3.4503 -.0010 -1 1 2
3.2893 3.2940 -.0047 0 2 2
3.0493 3.0495 -.0002 2 0 1
2.9194 2.9191 .0004 2 -1 1
2.7995 2.8007 -.0012 0 -2 2
A= 6.332 DA= .001
B= 8.3542 DB= .0004
C= 9.0656 DC= .0008
GAMMA= 96.21 DGAMMA= .01
BETA = 85.487 DBETA = .004
ALPHA= 81.295 DALPHA= .009
V=468.9
1-0132
2FeCl3*7H2O
Triklin
Dexp Dcal d(D) h k l
6.4504 6.4519 -.0015 0 1 1
5.5006 5.5051 -.0045 0 -1 1
5.1507 5.1502 .0005 -1 -1 1
4.7101 4.7182 -.0081 1 1 1
4.3605 4.3741 -.0136 -2 0 1
3.8502 3.8488 .0014 -1 -1 2
3.5902 3.5862 .0040 -2 1 0
3.4402 3.4369 .0033 2 0 1
3.3101 3.3146 -.0045 1 2 1
3.1602 3.1584 .0018 0 0 3
3.0303 3.0292 .0011 -2 0 3
2.8802 2.8785 .0017 2 2 0
A= 8.8185 DA= .0005
B= 7.68784 DB= .00003
C= 10.124 DC= .001
GAMMA= 90.203 DGAMMA= .001
BETA =108.50 DBETA = .02
ALPHA= 81.14 DALPHA= .01
V= 642.4
1-0136
Fe+3O{OH}
Triklin
Dexp Dcal d(D) h k l
6.3528 6.3524 .0004 0 1 0
4.2421 4.2415 .0007 1 0 2
3.9620 3.9603 .0017 0 -1 2
3.3016 3.3040 -.0024 1 2 0
3.0914 3.0911 .0004 2 1 2
2.9815 2.9813 .0002 1 0 3
2.7913 2.7935 -.0022 2 2 1
2.7113 2.7098 .0015 3 0 1
2.5813 2.5823 -.0010 0 1 3
2.4713 2.4725 -.0012 -1 2 1
2.3612 2.3614 -.0002 0 -2 3
2.2611 2.2606 .0006 -3 1 0
A= 8.545 DA= .007
B= 6.679 DB= .001
C= 9.201 DC= .006
GAMMA= 73.96 DGAMMA= .03
BETA = 83.00 DBETA = .07
ALPHA= 95.93 DALPHA= .03
V= 495.7
1-0139
C3H3FeO6*H2O
Triklin
Dexp Dcal d(D) h k l
13.0073 12.9858 .0215 1 0 0
11.0043 10.9985 .0059 0 1 0
9.4038 9.4379 -.0341 0 1 1
8.4050 8.4194 -.0144 -1 0 1
2.7514 2.7512 .0002 -2 3 2
7.6038 7.6267 -.0229 -1 1 0
6.6032 6.5990 .0042 0 0 2
6.2027 6.2021 .0006 2 1 0
5.7031 5.7027 .0005 1 2 1
5.2027 5.2030 -.0004 2 0 2
4.9022 4.9013 .0009 2 -1 1
4.4024 4.4026 -.0002 0 1 3
A= 13.7798 DA= .0008
B= 11.65359 DB= .00008
C= 13.96836 DC= .00006
GAMMA= 74.502 DGAMMA= .004
BETA = 74.738 DBETA = .007
ALPHA= 75.05 DALPHA= .01
V=2043.7
1-0153
FeCl3*6H2O
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
6.0007 5.9983 .0024 1 1 0
4.4005 4.4052 -.0047 1 1 1
3.5004 3.5049 -.0045 1 2 1
3.1403 3.1399 .0004 1 1 2
3.0003 2.9992 .0011 2 2 0
2.7603 2.7608 -.0005 1 3 1
2.5702 2.5685 .0017 -3 1 1
2.4202 2.4207 -.0005 -2 3 2
2.1902 2.1918 -.0016 -1 4 2
2.0402 2.0397 .0005 -2 4 2
1.9901 1.9904 -.0003 -4 0 2
1.9401 1.9398 .0004 -4 1 1
a= 7.990 b=10.021 c= 9.330 beta= 110.415
da=.001 db= .001 dc= .002 dbet=.002
V= 700.1
Triklin
Dexp Dcal d(D) h k l
6.0007 5.9977 .0029 1 0 0
4.4005 4.4031 -.0026 1 1 1
4.0004 3.9962 .0042 -1 -1 1
3.5004 3.5016 -.0012 0 2 0
3.1403 3.1389 .0014 2 0 1
3.0003 2.9989 .0014 2 0 0
2.7603 2.7596 .0007 -1 1 1
2.5702 2.5685 .0017 -2 -2 1
2.4202 2.4192 .0010 0 -3 1
2.1902 2.1913 -.0011 3 2 1
2.0402 2.0400 .0002 1 -3 1
1.9901 1.9896 .0006 -1 1 2
A= 6.85924 DA= .00007
B= 7.85526 DB= .00005
C= 6.30354 DC= .00002
GAMMA= 68.496 DGAMMA= .001
BETA = 75.3425 DBETA = .0004
ALPHA= 99.478 DALPHA= .001
V=293.0
1-0181
Fe{H2PO2}3
Triklin
Dexp Dcal d(D) h k l
5.7007 5.6930 .0077 -1 0 1
4.4602 4.4584 .0018 0 1 1
3.8203 3.8195 .0008 0 -1 1
3.4402 3.4364 .0039 -1 1 2
3.2003 3.1973 .0029 -2 0 1
3.1102 3.1116 -.0014 0 1 2
2.7603 2.7594 .0009 -2 1 0
2.6502 2.6521 -.0019 -1 -1 2
2.5002 2.5005 -.0003 -1 0 3
2.4202 2.4196 .0006 2 0 1
2.2802 2.2794 .0008 -2 2 1
1.9501 1.9505 -.0004 -3 1 0
A= 6.5961 DA= .0006
B= 5.3028 DB= .0003
C= 7.7304 DC= .0003
GAMMA=103.865 DGAMMA= .004
BETA =114.359 DBETA = .003
ALPHA= 76.048 DALPHA= .001
V=236.1
1-0187
NH4-Fe-Cl
Triklin
Dexp Dcal d(D) h k l
5.7007 5.7002 .0005 0 1 1
4.9504 4.9648 -.0144 1 1 0
3.0102 3.0089 .0014 2 -1 1
2.8201 2.8205 -.0003 3 0 1
2.4802 2.4824 -.0022 2 2 0
2.2202 2.2194 .0008 3 2 3
2.1602 2.1583 .0019 0 -1 3
2.1102 2.1107 -.0005 0 1 4
2.0201 2.0213 -.0012 4 0 0
1.9001 1.9001 .0000 0 3 3
1.8502 1.8505 -.0003 -1 3 0
1.7401 1.7423 -.0022 4 2 0
A= 8.678 DA= .003
B= 6.3429 DB= .0002
C= 9.020 DC= .001
GAMMA= 77.40 DGAMMA= .04
BETA = 69.40 DBETA = .02
ALPHA= 67.55 DALPHA= .05
V=427.4
1-0201
FeSO4*4H2O
Triklin
Dexp Dcal d(D) h k l
6.9034 6.9204 -.0170 0 1 0
5.5028 5.5062 -.0034 1 1 0
4.4921 4.4850 .0071 -1 1 1
3.9918 3.9959 -.0041 -1 -1 1
3.6019 3.6015 .0005 1 2 1
3.4016 3.4034 -.0018 1 -1 1
3.2416 3.2388 .0028 2 1 1
2.9716 2.9704 .0012 -2 -1 1
2.7514 2.7531 -.0017 2 2 0
2.5813 2.5810 .0003 0 2 3
2.4312 2.4297 .0015 -1 0 3
2.3612 2.3625 -.0013 -1 2 3
A= 7.0822 DA= .0008
B= 7.6874 DB= .0005
C= 8.2286 DC= .0002
GAMMA= 78.819 DGAMMA= .007
BETA = 89.865 DBETA = .005
ALPHA= 67.032 DALPHA= .001
V=403.4
1-0202
beta-Fe*3H2O
Rombik
Groupa 52
Dexp. Dcal. d(D) h k l
5.5028 5.5283 -.0255 0 1 1
3.9118 3.9027 .0091 0 2 0
3.4819 3.4661 .0158 1 0 1
3.1816 3.1678 .0138 1 1 1
2.7713 2.7642 .0071 0 2 2
2.5913 2.5916 -.0003 1 2 1
2.4713 2.4691 .0022 0 3 1
2.0810 2.0808 .0002 1 3 1
1.9509 1.9514 -.0004 0 4 0
1.8809 1.8760 .0049 2 1 0
1.8410 1.8428 -.0018 0 3 3
1.7508 1.7465 .0044 0 4 2
a= 3.865 b= 7.805 c= 7.831
da= .007 db= .003 dc= .004
V= 236.2
Monoklin
Grupa 7,13
Dexp Dcal d(D) h k l
5.5028 5.5012 .0016 1 1 0
3.9118 3.9117 .0002 0 0 2
3.4819 3.4814 .0005 -1 0 2
3.1816 3.1825 -.0009 2 1 1
2.7713 2.7650 .0063 2 0 2
2.5913 2.5878 .0035 -2 1 2
2.4713 2.4734 -.0021 0 1 3
2.0810 2.0813 -.0003 3 2 1
1.9509 1.9511 -.0002 0 4 0
1.8809 1.8817 -.0008 4 1 0
1.8410 1.8418 -.0008 0 3 3
1.7508 1.7519 -.0011 2 0 4
a= 7.756 b= 7.804 c= 7.82 beta= 89.53
da=.006 db=.004 dc=.02 dbet=.04
V= 473.5
1-0210
FeCl2*2H2O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
5.5006 5.5113 -.0107 1 1 0
4.2804 4.2888 -.0084 0 0 2
3.6304 3.6359 -.0055 1 1 2
3.1702 3.1676 .0027 -2 1 1
2.8802 2.8790 .0012 3 0 1
2.7503 2.7430 .0073 1 2 2
2.6502 2.6469 .0033 2 0 3
2.3902 2.3927 -.0025 -3 1 1
2.3202 2.3211 -.0009 1 3 0
2.1302 2.1305 -.0004 3 2 2
2.0802 2.0817 -.0015 4 1 1
1.8401 1.8371 .0030 3 3 0
a= 8.70 b= 7.24 c= 8.7776 beta= 77.74
da=.01 db= 1.567936E-02 dc=.0007 dbet=.02
V= 540.1
Triklin
Dexp Dcal d(D) h k l
5.5006 5.5022 -.0016 1 0 0
4.2804 4.2777 .0027 1 1 1
3.6304 3.6299 .0005 1 2 0
3.1702 3.1712 -.0010 -1 -1 1
2.8802 2.8822 -.0020 1 -3 1
2.7503 2.7511 -.0008 2 0 0
2.6502 2.6480 .0021 0 1 2
2.3902 2.3891 .0011 0 2 2
2.3202 2.3184 .0018 1 -4 1
2.1302 2.1304 -.0002 2 3 1
2.0802 2.0799 .0003 2 3 0
1.8401 1.8403 -.0002 -1 -3 2
A= 5.925 DA= .001
B= 10.110 DB= .004
C= 5.9784 DC= .0007
GAMMA= 93.94 DGAMMA= .05
BETA = 68.39652 DBETA = .00004
ALPHA= 93.72 DALPHA= .04
V= 331.9
1-0218
FeCl2*4H2O
Triklin
Dexp Dcal d(D) h k l
5.9032 5.9144 -.0112 0 1 1
5.4028 5.3981 .0046 0 -1 1
4.4024 4.4040 -.0016 -1 0 1
3.9821 3.9831 -.0010 -1 0 2
3.4516 3.4499 .0017 1 0 3
3.1116 3.1146 -.0029 -1 1 2
3.0014 2.9995 .0020 0 1 5
2.8715 2.8682 .0033 1 2 0
2.7713 2.7711 .0002 -1 -1 4
2.6313 2.6310 .0003 -1 0 5
2.4813 2.4811 .0002 1 2 4
2.3612 2.3607 .0005 0 2 5
A= 4.7210 DA= .0003
B= 6.2878 DB= .0004
C= 16.136 DC= .008
GAMMA= 75.39 DGAMMA= .01
BETA = 88.55 DBETA = .01
ALPHA= 81.97 DALPHA= .01
V= 458.9
1-0237
Ca2Fe{CN}6*12H2O
Triklin
Dexp Dcal d(D) h k l
8.0032 8.0087 -.0055 -1 1 0
5.5028 5.4940 .0087 0 1 1
5.1023 5.1258 -.0235 1 -1 1
4.7025 4.6980 .0045 -1 0 1
4.2921 4.2868 .0054 1 1 1
3.6818 3.6778 .0040 0 -2 1
3.2517 3.2533 -.0016 2 1 0
3.0914 3.0895 .0019 1 0 2
3.0116 3.0125 -.0010 1 -1 2
2.7713 2.7720 -.0007 3 -1 1
2.6614 2.6617 -.0003 2 0 2
2.5412 2.5409 .0003 -3 1 1
A= 8.890 DA= .002
B= 10.513 DB= .003
C= 6.402 DC= .001
GAMMA=114.24 DGAMMA= .01
BETA = 84.03 DBETA = .01
ALPHA= 88.279 DALPHA= .004
V=541.1
1-0240
2FeCl3*5H2O
Triklin
Dexp Dcal d(D) h k l
5.0826 5.0840 -.0014 0 1 1
4.5021 4.5044 -.0023 1 0 1
4.1620 4.1615 .0005 0 -1 1
3.8718 3.8724 -.0007 1 -1 1
3.7018 3.7071 -.0053 1 2 1
3.4917 3.4897 .0020 2 1 1
3.2615 3.2650 -.0034 2 -1 1
3.1317 3.1307 .0010 1 3 0
2.9815 2.9783 .0032 -2 3 0
2.8414 2.8400 .0014 -3 2 1
2.6712 2.6727 -.0015 -3 -1 1
2.5313 2.5299 .0014 3 2 1
A= 10.567 DA= .001
B= 10.5363 DB= .0005
C= 5.2720 DC= .0003
GAMMA= 96.477 DGAMMA= .005
BETA = 94.13 DBETA = .02
ALPHA= 75.396 DALPHA= .009
V=563.5
1-0244
Cu2Fe{CN}6*7H2O
Rombik
Groupa 28,51
Dexp. Dcal. d(D) h k l
10.1047 10.1061 -.0014 0 1 0
7.1033 7.0841 .0192 1 0 0
5.8031 5.8009 .0022 1 1 0
5.0027 4.9963 .0064 1 0 1
3.5518 3.5528 -.0010 1 2 1
3.0216 3.0202 .0014 2 1 1
2.5012 2.4982 .0030 2 0 2
2.2311 2.2298 .0013 1 0 3
2.0410 2.0400 .0010 1 2 3
1.7609 1.7619 -.0010 0 0 4
1.6709 1.6713 -.0004 4 2 0
1.5808 1.5817 -.0009 3 2 3
a= 7.084 b=10.106 c= 7.048
da= .002 db= .005 dc= .001
V= 504.6
1-0270
2C6FeNa3O12*9H2O
Triklin
Dexp Dcal d(D) h k l
10.0053 9.9923 .0129 1 0 0
7.7032 7.7208 -.0177 0 1 0
6.9034 6.9067 -.0033 0 0 1
6.2027 6.1868 .0159 0 -1 1
5.1023 5.0856 .0167 -2 1 0
4.8324 4.8152 .0172 -2 0 1
4.5021 4.5014 .0006 0 1 1
4.3322 4.3297 .0026 -2 1 1
4.1221 4.1189 .0032 -1 2 0
3.9318 3.9272 .0046 0 -2 1
3.7518 3.7577 -.0059 -2 2 0
3.6518 3.6513 .0006 2 1 0
A= 10.952 DA= .004
B= 8.463 DB= .005
C= 7.455 DC= .002
GAMMA=106.38 DGAMMA= .01
BETA =103.00 DBETA = .01
ALPHA=103.076 DALPHA= .008
V=613.5
1-0277
FeCl3*2H2O
Triklin
Dexp Dcal d(D) h k l
5.6027 5.6039 -.0011 1 0 0
5.1023 5.1016 .0007 1 1 0
4.8023 4.8030 -.0007 -1 0 1
4.5120 4.5142 -.0022 1 0 1
4.0821 4.0844 -.0023 -1 1 1
3.7018 3.7012 .0007 0 2 0
3.5019 3.5028 -.0009 1 2 0
3.3016 3.3080 -.0064 1 2 2
3.1216 3.1255 -.0039 0 -1 2
3.0515 3.0490 .0025 0 1 3
2.9716 2.9743 -.0028 -1 2 1
2.9215 2.9258 -.0043 -1 -1 2
A= 5.7796 DA= .0005
B= 8.358 DB= .005
C= 9.160 DC= .003
GAMMA= 76.360 DGAMMA= .05
BETA = 87.89 DBETA = .06
ALPHA= 65.9 DALPHA= .01
V= 391.6
1-0319
C12H10FeO8S2
Triklin
Dexp Dcal d(D) h k l
9.5049 9.5040 .0008 0 1 0
7.5043 7.5094 -.0051 -1 0 1
6.5030 6.4963 .0067 0 1 1
5.9032 5.9045 -.0012 0 -1 1
5.6027 5.6068 -.0041 -1 1 1
5.3029 5.3050 -.0021 -2 -1 1
4.5923 4.5976 -.0053 -2 1 0
4.2019 4.1964 .0055 3 0 0
3.9421 3.9408 .0012 0 -2 1
3.6019 3.6016 .0003 -3 -2 1
3.3317 3.3329 -.0012 4 1 0
3.2015 3.2028 -.0013 1 2 2
A= 13.523 DA= .003
B= 10.0712 DB= .0008
C= 8.288 DC= .002
GAMMA= 71.464 DGAMMA= .008
BETA = 99.65 DBETA = .06
ALPHA= 87.90 DALPHA= .05
V=1050.0
1-0347
C4H4FeO6
Triklin
Dexp Dcal d(D) h k l
7.3036 7.2936 .0100 1 0 0
5.8031 5.8192 -.0161 1 2 0
4.6425 4.6435 -.0010 0 -1 1
4.4422 4.4364 .0058 1 1 1
3.6317 3.6322 -.0005 -1 0 1
3.5118 3.5162 -.0044 1 3 1
3.2917 3.2913 .0005 1 -3 1
3.0914 3.0926 -.0012 -2 2 0
2.6413 2.6423 -.0010 0 -5 1
2.5613 2.5609 .0004 0 -6 0
2.4312 2.4312 .0000 3 0 0
2.2711 2.2709 .0003 2 0 2
A= 7.621 DA= .002
B= 15.604 DB= .002
C= 4.9472 DC= .0006
GAMMA= 80.31 DGAMMA= .02
BETA = 76.39 DBETA = .01
ALPHA= 90.16 DALPHA= .06444
V=563.2
1-0401
Fe2O3*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.9825 4.9831 -.0006 1 1 1
4.2119 4.2171 -.0052 2 1 0
3.3917 3.3936 -.0019 -2 0 2
2.7013 2.7020 -.0006 0 1 3
2.5813 2.5833 -.0020 -2 0 3
2.4512 2.4515 -.0003 0 3 2
2.2511 2.2512 -.0001 0 4 0
2.1911 2.1911 .0000 1 4 0
1.9209 1.9212 -.0003 0 2 4
1.8009 1.8010 -.0001 0 5 0
1.7209 1.7210 -.0002 4 0 3
1.6809 1.6808 .0000 -1 1 5
a= 9.623 b= 9.0048 c= 8.5661 beta= 97.252
da= .003 db=.0006 dc=.0009 dbeta=.001
V= 736.3
1-0430
Pb2Fe{CN}6*3H2O
Triklin
Dexp Dcal d(D) h k l
7.3035 7.3102 -.0067 0 0 1
6.3036 6.3039 -.0003 -1 1 0
5.7031 5.6972 .0059 1 0 1
4.1022 4.1025 -.0003 1 -2 1
3.6719 3.6717 .0002 -1 -1 1
3.3217 3.3147 .0069 0 -1 2
3.1116 3.1115 .0002 2 -2 1
2.9915 2.9979 -.0064 2 1 1
2.8215 2.8203 .0012 0 -2 2
2.6614 2.6612 .0001 -1 4 0
2.4212 2.4209 .0003 -1 -3 1
2.1411 2.1410 .0001 3 0 2
A= 6.96550 DA= .00003
B= 10.776 DB= .001
C= 7.615 DC= .003
GAMMA=103.61 DGAMMA= .02
BETA = 75.53 DBETA = .01
ALPHA= 86.32 DALPHA= .02
V= 533.3
1-0433
Zn2Fe{CN}6*3H2O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
5.4028 5.4013 .0015 -1 1 1
4.5120 4.5170 -.0050 1 1 1
4.0821 4.0799 .0022 -1 0 2
3.6417 3.6401 .0017 -1 1 2
3.1116 3.1117 -.0000 -2 2 1
3.0014 3.0002 .0012 -3 0 2
2.7013 2.7007 .0007 -2 2 2
2.5412 2.5421 -.0009 0 3 1
2.3712 2.3712 -.0001 1 0 3
2.3211 2.3229 -.0018 -3 1 3
2.2011 2.1999 .0012 4 0 1
2.0810 2.0811 -.0001 -5 0 1
a= 10.413 b= 8.05945 c=8.2092 beta= 106.77
da= 2.048492E-03 db=.00001 dc=.0008 dbet=.01
V= 659.6
1-0515
K2CaFe{CN}6
Monoklin
Grupa 3,6,10
Dexp Dcal d(D) h k l
6.0007 6.0072 -.0065 1 1 0
5.1004 5.1007 -.0003 2 0 0
4.6001 4.6089 -.0088 1 1 1
3.7204 3.7163 .0041 0 2 0
3.6401 3.6397 .0005 2 1 1
3.0703 3.0714 -.0011 1 1 2
2.8501 2.8500 .0002 3 1 1
2.5702 2.5689 .0012 0 2 2
2.3502 2.3491 .0010 3 1 2
2.3002 2.3009 -.0007 -1 0 3
2.1302 2.1305 -.0004 2 3 1
2.0601 2.0606 -.0004 3 2 2
1.6301 1.6301 .0001 -2 1 4
a=10.203 b= 7.433 c= 7.111 beta=89.13
da=.004 db=.005 dc=4.961 dbet=.05
V= 539.2
1-0518
K2CuFe{CN}6
Triklin
Dexp Dcal d(D) h k l
5.1023 5.0841 .0182 -1 0 1
3.6317 3.6256 .0061 3 1 0
3.0616 3.0628 -.0012 3 2 1
2.8615 2.8551 .0064 -1 0 2
2.5713 2.5733 -.0020 1 3 1
2.3612 2.3612 .0000 -4 1 0
2.2911 2.2946 -.0035 4 2 2
2.1310 2.1336 -.0026 5 0 1
2.0611 2.0601 .0010 -1 -3 1
1.8209 1.8198 .0011 6 0 0
1.6308 1.6313 -.0005 7 1 1
1.5808 1.5800 .0008 7 2 0
A= 11.5004 DA= .0004
B= 7.7709 DB= .0005
C= 6.49095 DC= .00003
GAMMA= 72.91 DGAMMA= .01
BETA = 78.53 DBETA = .03
ALPHA= 71.20 DALPHA= .02
V=522.0
1-0551
Fe2{SO4}3*H2O
Triklin
Dexp Dcal d(D) h k l
10.2061 10.2039 .0022 1 0 0
9.2037 9.2298 -.0260 0 1 0
7.1034 7.0931 .0103 0 0 1
6.8030 6.8169 -.0140 0 -1 1
4.7524 4.7599 -.0075 2 0 1
4.4124 4.4177 -.0053 -1 -2 1
4.1620 4.1572 .0048 2 -1 1
4.0020 4.0085 -.0065 -2 1 0
3.5318 3.5343 -.0025 3 1 0
3.3516 3.3559 -.0042 3 1 1
3.2015 3.1984 .0031 -1 -2 2
3.1116 3.1119 -.0003 -1 0 2
A= 10.819 DA= .004
B= 10.022 DB= .006
C= 7.639 DC= .001
GAMMA= 77.36 DGAMMA= .01
BETA = 79.684 DBETA = .006
ALPHA=106.15 DALPHA= .02
V= 750.4
1-0612
FeSO4*H2O
Triklin
Dexp Dcal d(D) h k l
4.8526 4.8547 -.0021 1 0 0
3.4218 3.4217 .0001 1 0 1
3.2517 3.2523 -.0007 1 -2 1
3.1317 3.1320 -.0003 0 -2 2
2.5713 2.5723 -.0010 -2 1 0
2.5012 2.5029 -.0016 1 -3 1
2.2411 2.2418 -.0007 2 -1 1
2.0710 2.0708 .0002 0 2 2
2.0010 1.9998 .0012 2 -3 1
1.9310 1.9308 .0002 -2 1 3
1.8209 1.8206 .0002 1 0 3
1.7108 1.7108 -.0000 2 0 2
A= 5.319 DA= .001
B= 7.854 DB= .001
C= 7.6256 DC= .0002
GAMMA=103.013 DGAMMA= .005
BETA =104.718 DBETA = .004
ALPHA=108.20 DALPHA= .02
V=276.3
1-0662
beta-FeOOH
Triklin
Dexp Dcal d(D) h k l
7.4032 7.4075 -.0043 1 0 0
5.2625 5.2597 .0028 0 1 1
3.3317 3.3309 .0008 2 -1 1
2.6413 2.6417 -.0004 -3 2 0
2.5513 2.5517 -.0004 -3 2 1
2.3712 2.3711 .0000 3 -1 1
2.2911 2.2911 .0000 -3 1 2
2.1011 2.1013 -.0002 1 -5 1
1.9609 1.9606 .0003 -4 1 0
1.8709 1.8709 -.0000 4 -2 1
1.7508 1.7507 .0001 2 4 0
1.6508 1.6509 -.0001 -3 5 2
A= 8.06094 DA= .00001
B= 10.62875 DB= .00004
C= 7.38014 DC= .00009
GAMMA=110.65660 DGAMMA= .00005
BETA = 96.91801 DBETA = .00003
ALPHA= 98.8529 DALPHA= .0001
V=574.3
1-0703
FeSO4
Triklin
Dexp Dcal d(D) h k l
4.7825 4.7842 -.0017 0 1 0
3.5817 3.5834 -.0017 0 -1 2
3.2517 3.2522 -.0005 -1 -1 2
2.5615 2.5617 -.0002 -1 -1 3
2.4012 2.4023 -.0011 0 -2 1
2.2811 2.2809 .0001 -1 1 2
2.2311 2.2311 .0000 2 2 0
2.0510 2.0523 -.0012 2 1 3
1.9910 1.9900 .0010 -1 0 4
1.8309 1.8309 .0001 1 -2 2
1.7809 1.7811 -.0002 3 1 0
1.7009 1.7006 .0002 3 1 2
A= 5.370 DA= .005
B= 5.288 DB= .002
C= 9.286 DC= .001
GAMMA= 66.16 DGAMMA= .05
BETA = 86.66 DBETA = .03
ALPHA= 96.34 DALPHA= .03
V= 238.2
Triklin
Dexp Dcal d(D) h k l
4.7825 4.7810 .0016 1 1 0
3.5817 3.5813 .0004 1 1 2
3.2517 3.2522 -.0006 -1 1 2
2.5615 2.5612 .0003 -2 0 1
2.4012 2.4008 .0004 1 3 2
2.2811 2.2808 .0002 2 2 2
2.2311 2.2313 -.0001 0 2 4
2.0510 2.0540 -.0029 2 3 1
1.9910 1.9921 -.0011 2 3 0
1.8309 1.8314 -.0004 0 4 1
1.7809 1.7809 -.0000 3 1 1
1.7009 1.7005 .0004 2 3 4
A= 5.4221 DA= .0001
B= 7.6063 DB= .0002
C= 9.373 DC= .003
GAMMA= 76.62 DGAMMA= .02
BETA = 88.41 DBETA = .03
ALPHA= 70.79 DALPHA= .04
V= 354.59
1-0877
K4Fe{CN}6
Triklin
Dexp Dcal d(D) h k l
6.6000 6.5951 .0049 0 0 1
5.3001 5.3006 -.0005 1 1 0
4.9105 4.9109 -.0004 0 -2 1
4.2202 4.2196 .0006 1 -2 1
3.9505 3.9524 -.0019 0 -3 1
3.6003 3.5999 .0004 1 3 0
3.4703 3.4710 -.0007 -1 -2 1
3.1003 3.0999 .0004 1 -4 1
2.9802 2.9818 -.0016 2 0 0
2.8403 2.8412 -.0010 -1 5 0
2.7503 2.7512 -.0009 0 5 1
2.3902 2.3901 .0001 2 0 2
A= 6.0823 DA= .0006
B= 15.152 DB= .003
C= 6.665 DC= .001
GAMMA= 97.75 DGAMMA= .01
BETA = 81.763 DBETA = .007
ALPHA= 90.11 DALPHA= .02
V= 602.26
1-0923
K4Fe{CN}6*3H2O
Triklin
Dexp Dcal d(D) h k l
8.5034 8.5006 .0028 1 0 0
6.2027 6.2044 -.0017 -1 1 0
4.7025 4.7035 -.0009 1 0 1
4.2019 4.2033 -.0014 -1 2 0
3.9021 3.9026 -.0005 -1 0 1
3.3016 3.3024 -.0008 2 2 1
2.9215 2.9185 .0030 -2 0 1
2.8014 2.8022 -.0008 -2 1 1
2.6013 2.6005 .0008 0 4 0
2.4512 2.4517 -.0005 0 0 2
2.3511 2.3516 -.0005 2 4 1
2.2211 2.2211 -.0000 -2 3 1
A= 8.815 DA= .004
B= 10.63 DB= .01
C= 5.086 DC= .002
GAMMA= 80.75 DGAMMA= .05
BETA = 76.49 DBETA = .04
ALPHA= 80.68 DALPHA= .04
V= 453.4
1-1003
K2Fe2O4
Groupa 30,53
Dexp. Dcal. d(D) h k l
4.5825 4.5900 -.0075 0 2 0
2.8014 2.7938 .0076 0 1 1
1.9810 1.9811 -.0001 2 3 0
1.6208 1.6212 -.0004 3 2 0
1.4107 1.4114 -.0007 1 0 2
1.2606 1.2602 .0004 3 5 0
1.1506 1.1503 .0003 4 2 1
1.0605 1.0608 -.0003 4 5 0
.9405 .9404 .0000 1 2 3
a= 5.1987 b= 9.180 c= 2.933
da= .0005 db= .001 dc= .001
V= 139.97
1-1026
Na4Fe{CN}6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.7031 5.7001 .0030 0 0 1
2.7514 2.7526 -.0012 2 1 0
1.9409 1.9414 -.0004 3 1 1
1.6508 1.6505 .0003 1 3 0
1.5808 1.5808 .0000 -2 0 3
1.3707 1.3709 -.0002 -3 0 3
1.2606 1.2605 .0001 1 3 3
1.2306 1.2305 .0001 5 0 2
1.1206 1.1205 .0001 -5 1 2
a= 6.557 b=5.118 c= 5.7239 beta= 84.76
da=.002 db=.004 dc=.0001 dbet=.03
V= 191.3
Triklin
Dexp Dcal d(D) h k l
5.7031 5.7012 .0019 0 0 1
2.7514 2.7507 .0007 0 -1 1
1.9409 1.9409 .0000 -1 -1 2
1.6508 1.6507 .0002 0 -1 3
1.5808 1.5808 .0000 2 1 0
1.3707 1.3707 .0000 -2 -1 3
1.2606 1.2606 .0000 -3 1 3
1.2306 1.2306 .0000 2 -1 3
1.1206 1.1206 -.0000 1 1 4
A= 4.4051 DA= .0007
B= 3.1219 DB= .0002
C= 5.89403 DC= .00006
GAMMA=101.424 DGAMMA= .005
BETA =104.438 DBETA = .004
ALPHA= 89.855 DALPHA= .001
V= 76.85
1-1027
SrFe2O4
Triklin
Dexp Dcal d(D) h k l
3.0803 3.0794 .0008 0 1 1
2.9303 2.9272 .0031 1 1 0
2.7503 2.7517 -.0014 0 -1 1
2.4102 2.4113 -.0011 1 -1 1
2.2402 2.2402 .0000 -1 -1 1
1.9001 1.8993 .0008 1 -1 2
1.6601 1.6606 -.0005 0 0 3
1.6201 1.6205 -.0004 0 -2 1
1.5901 1.5906 -.0005 2 -1 2
1.4701 1.4696 .0005 1 -1 3
1.3701 1.3701 -.0000 1 2 3
1.2301 1.2300 .0001 -2 2 1
A= 4.6105 DA= .0004
B= 3.6446 DB= .0007
C= 5.3155 DC= .0004
GAMMA= 80.547 DGAMMA= .003
BETA = 70.716 DBETA = .007
ALPHA= 80.539 DALPHA= .003
V=82.6
1-1068
Ca2{AlFe}O5
Rombik
Groupa 68
Dexp. Dcal. d(D) h k l
2.7815 2.7795 .0019 2 0 0
2.6614 2.6612 .0002 1 1 1
2.0510 2.0486 .0024 2 1 1
1.9310 1.9328 -.0018 2 0 2
1.5808 1.5810 -.0002 3 1 1
1.5308 1.5311 -.0003 2 2 0
1.3307 1.3306 .0001 2 2 2
1.2106 1.2105 .0001 2 0 4
a= 5.5590 b= 3.6690 c= 5.379
da= .0005 db= .0004 dc= .004
V= 109.7
1-1265
FeAl3
Triklin
Dexp Dcal d(D) h k l
4.0719 4.0730 -.0011 0 1 1
3.6818 3.6832 -.0014 -1 -1 1
3.5416 3.5419 -.0002 0 -1 1
3.3418 3.3462 -.0044 -1 1 1
3.2517 3.2503 .0013 1 0 1
2.2611 2.2600 .0011 -2 1 1
2.1511 2.1532 -.0021 -1 0 3
2.0810 2.0798 .0012 -2 1 0
2.0210 2.0190 .0020 -1 1 3
1.9310 1.9312 -.0002 -1 -2 2
1.8009 1.8009 -.0001 -3 -1 2
1.4507 1.4507 -.0000 2 3 1
A= 5.6570 DA= .0007
B= 5.053 DB= .0004
C= 6.4722 DC= .0006
GAMMA= 79.710 DGAMMA= .002
BETA =112.97 DBETA = .04
ALPHA= 86.68 DALPHA= .02
V= 165.9