1. 27-1808
C54H44NiO4P2S4
Triklin
Dexp Dcal d(D) h k l
11.5014 11.4753 .0261 0 1 1
8.8910 8.8874 .0035 0 -1 1
7.3004 7.3010 -.0006 -1 0 1
6.8203 6.8170 .0033 0 1 2
6.2806 6.2807 -.0001 -1 1 0
5.8603 5.8604 -.0001 0 -2 1
5.2903 5.2860 .0043 -1 1 2
5.0204 5.0216 -.0011 0 3 1
4.1703 4.1716 -.0013 -1 1 3
3.9603 3.9601 .0002 -2 -1 1
3.7903 3.7902 .0001 0 4 1
3.6503 3.6505 -.0002 -2 0 2
3.2902 3.2903 -.0001 2 2 2
A= 8.077 DA= .001
B= 15.503 DB= .003
C= 14.042 DC= .004
GAMMA= 78.00 DGAMMA= .03
BETA = 96.66 DBETA = .03
ALPHA= 77.31 DALPHA= .02
V= 1653.6
2. 27-1809
C18H22N2NiO2S4
Triklin
Dexp Dcal d(D) h k l
8.6609 8.6629 -.0021 -1 0 1
8.0408 8.0376 .0032 0 1 1
6.8005 6.7988 .0016 0 -1 1
5.6004 5.5958 .0046 1 -1 1
5.2404 5.2389 .0014 -2 1 0
4.6704 4.6695 .0009 2 1 0
3.6303 3.6298 .0006 -1 3 1
3.5603 3.5606 -.0003 0 3 0
3.3602 3.3604 -.0002 -2 3 1
3.0902 3.0902 .0000 0 2 3
2.7502 2.7503 -.0001 -4 0 2
2.6002 2.6003 -.0001 2 0 3
2.5502 2.5503 -.0001 -2 4 0
A= 11.7143 DA= .0001
B= 11.0363 DB= .0008
C= 10.6955 DC= .0005
GAMMA=101.044 DGAMMA= .005
BETA =106.641 DBETA = .007
ALPHA= 77.825 DALPHA= .001
V= 1282.3
3. 27-1810
C18H22N2NiO2S4
Triklin
Dexp Dcal d(D) h k l
9.3004 9.3005 -.0002 0 1 0
8.8404 8.8587 -.0183 0 1 1
7.5103 7.5100 .0002 -1 0 1
6.9104 6.9282 -.0178 0 0 2
6.4104 6.4096 .0008 0 1 2
6.3203 6.2825 .0378 1 -1 1
5.6004 5.6070 -.0066 -1 1 2
4.9804 4.9723 .0081 0 -1 2
4.7903 4.8002 -.0099 0 2 1
4.6904 4.6785 .0119 -2 1 0
4.2704 4.2719 -.0015 -1 1 3
4.0002 4.0042 -.0040 -2 1 2
A= 9.6404 DA= .0003
B= 9.956 DB= .002
C= 14.35 DC= .02
GAMMA=104.71 DGAMMA= .05
BETA = 90.30 DBETA = .02
ALPHA= 75.39 DALPHA= .07
V= 1286.4
4. 27-1812
C36H24Cl2N6NiO11*2H2O
Triklin
Dexp Dcal d(D) h k l
6.8005 6.8117 -.0113 1 0 1
6.2305 6.2317 -.0013 1 1 1
5.6004 5.6126 -.0122 -1 -1 1
5.4703 5.4735 -.0032 -2 0 1
4.7704 4.7742 -.0038 0 0 2
4.6904 4.6924 -.0019 2 1 1
4.6203 4.6294 -.0091 2 0 1
4.3303 4.3330 -.0027 -1 1 2
4.2303 4.2296 .0008 -2 1 0
4.1703 4.1603 .0100 1 0 2
4.0902 4.0947 -.0045 -2 0 2
4.0902 4.0947 -.0045 -2 0 2
A= 12.2378 DA= .0003
B= 8.353 DB= .009
C= 9.922 DC= .004
GAMMA= 77.39 DGAMMA= .02
BETA = 97.69 DBETA = .02
ALPHA= 78.37 DALPHA= .04
V=951.8
5. 27-1813
C6H13N5Ni3S
Triklin
Dexp Dcal d(D) h k l
8.2006 8.1967 .0038 0 1 1
7.4906 7.4908 -.0002 -1 1 1
7.1905 7.1780 .0125 0 -1 1
6.5404 6.5352 .0052 -1 2 0
6.1406 6.1382 .0024 -1 2 1
5.4102 5.4086 .0016 2 0 0
5.1004 5.1025 -.0021 -2 1 0
4.8603 4.8589 .0014 -1 3 1
4.3703 4.3721 -.0017 0 -3 1
4.1903 4.1935 -.0032 -1 2 2
4.0902 4.0935 -.0032 2 0 1
3.9803 3.9821 -.0018 -2 3 1
A= 11.2551 DA= .0004
B= 17.018 DB= .007
C= 9.039 DC= .001
GAMMA= 90.86 DGAMMA= .03
BETA =105.95 DBETA = .01
ALPHA= 80.76009 DALPHA= .00007
V=1646
6. 27-1814
C54H44 Br8NiO4P2S4Sn1
Triklin
Dexp Dcal d(D) h k l
13.1010 13.1212 -.0202 0 1 0
12.1003 12.1089 -.0085 1 0 0
9.5211 9.5314 -.0103 -1 1 0
8.1508 8.1479 .0030 1 -1 1
6.0004 6.0004 -.0000 -1 -1 1
5.1904 5.1917 -.0013 1 -1 2
4.8703 4.8695 .0009 0 1 2
4.7504 4.7508 -.0004 2 0 2
4.5402 4.5404 -.0002 -2 1 1
4.2803 4.2800 .0003 -2 -1 1
4.0202 4.0204 -.0001 0 3 1
A= 12.8286 DA= .0005
B= 13.252 DB= .006
C= 11.0813 DC= .0006
GAMMA= 98.03 DGAMMA= .04
BETA = 72.147 DBETA = .002
ALPHA= 93.21 DALPHA= .01
V= 1775.4
7. 27-1815
C54H44Cl8NiO4P2S4Sn2
Rombik
Groupa 16
Dexp. Dcal. d(D) h k l
8.8705 8.9377 -.0672 1 0 0
7.9909 7.9499 .0410 1 0 1
7.0507 7.0451 .0057 1 1 0
6.5704 6.5300 .0404 1 1 1
5.4303 5.4375 -.0072 0 2 1
4.7803 4.7818 -.0014 0 2 2
4.1602 4.1629 -.0027 2 1 0
3.9103 3.9108 -.0005 1 0 4
3.5102 3.5097 .0005 1 3 0
a= 8.94 b=11.449 c=17.4
da= .01 db= .007 dc= .1
v=1780
8. 27-1816
C54H44I8NiO4P2S4Sn2
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
11.0013 11.2031 -.2017 1 0 0
9.5612 9.5118 .0494 1 0 1
8.9511 9.0016 -.0505 0 0 2
7.0907 7.0171 .0736 1 0 2
5.8703 5.8373 .0330 1 1 1
5.6205 5.6015 .0190 2 0 0
4.6503 4.6593 -.0091 0 1 3
4.0002 3.9998 .0005 2 1 2
3.3302 3.3333 -.0030 3 1 0
a=11.203 b= 7.39 c=18.0
da= .009 db= .09 dc= .1
V=1491
9. 27-1817
C6H15NO3*NiSO4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.6004 5.5999 .0005 -1 1 1
4.2904 4.2902 .0002 -2 1 1
3.6902 3.6912 -.0010 -1 1 2
3.3902 3.3905 -.0003 -2 0 2
3.1903 3.1891 .0012 1 3 0
2.9202 2.9209 -.0007 2 2 2
2.7702 2.7704 -.0002 2 3 1
2.4902 2.4906 -.0004 0 2 3
2.3402 2.3403 -.0001 3 1 3
2.1502 2.1499 .0003 1 0 4
2.1101 2.1100 .0001 0 1 4
1.8801 1.8801 .0000 0 4 3
a= 11.9368 b= 9.930 c= 8.656 beta=86.179
da=.0008 db=.001 dc=.002 dbeta=.001
V= 1023.8
Triklin
Dexp Dcal d(D) h k l
5.6004 5.6004 .0000 0 1 0
4.2904 4.2906 -.0002 1 -1 1
3.6902 3.6903 -.0001 0 -1 2
3.3902 3.3906 -.0004 1 -1 2
3.1903 3.1900 .0003 2 -1 1
2.9202 2.9199 .0003 0 1 3
2.7702 2.7708 -.0006 -1 2 0
2.4902 2.4903 -.0001 -1 2 2
2.3402 2.3404 -.0002 -3 1 2
2.1502 2.1502 -.0000 1 1 4
2.1101 2.1100 .0001 -3 1 3
1.8801 1.8800 .0001 -1 3 0
A= 7.970 DA= .003
B= 5.6683 DB= .0003
C= 10.119 DC= .004
GAMMA= 98.72 DGAMMA= .08
BETA = 94.96 DBETA = .04
ALPHA= 87.54 DALPHA= .03
V= 449.9
10. 27-1960
C12H18N2NiO2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.2809 9.2577 .0232 -1 0 1
7.6904 7.6900 .0004 1 1 0
6.0604 6.0550 .0054 -2 0 1
5.5703 5.5737 -.0034 0 0 2
5.4703 5.4687 .0016 -1 0 2
4.8202 4.8165 .0037 0 1 2
4.6203 4.6288 -.0085 -2 0 2
3.9302 3.9266 .0036 3 1 0
3.8002 3.8039 -.0037 3 0 1
3.6203 3.6138 .0065 2 1 2
3.5203 3.5260 -.0057 2 2 1
3.2802 3.2777 .0025 -2 1 3
a= 13.109 b= 9.571 c= 11.314 beta= 99.83
da=.003 db=.006 dc=.006 dbeta=.06
V= 1399
Triklin
Dexp Dcal d(D) h k l
9.2809 9.2645 .0164 0 1 1
7.6904 7.6789 .0115 1 0 0
6.0604 6.0589 .0015 0 -1 1
5.5703 5.5632 .0072 0 1 2
5.4703 5.4699 .0003 -1 1 0
4.8202 4.8195 .0007 -1 1 2
4.6203 4.6322 -.0120 0 2 2
3.9302 3.9287 .0016 2 1 0
3.8002 3.7974 .0028 -2 -1 1
3.6203 3.6197 .0006 -1 1 3
3.5203 3.5176 .0027 0 3 2
3.2802 3.2813 -.0011 -2 -1 2
A= 8.048 DA= .001
B= 11.097 DB= .006
C= 11.373 DC= .003
GAMMA= 80.29 DGAMMA= .04
BETA = 99.77 DBETA = .02
ALPHA= 68.85 DALPHA= .01
V= 903.8
11. 27-1961
C22H22N2NiO2
Triklin
Dexp Dcal d(D) h k l
10.9011 10.8826 .0186 1 0 0
10.2007 10.2244 -.0238 1 1 0
9.2809 9.2537 .0272 1 0 1
7.4305 7.4297 .0008 0 1 1
6.4104 6.4051 .0053 -1 -1 1
5.7105 5.6925 .0180 2 1 0
5.4303 5.4413 -.0110 2 0 0
5.3403 5.3344 .0059 1 -2 1
5.0303 5.0297 .0006 1 -1 2
4.6404 4.6408 -.0004 0 3 0
4.4103 4.4075 .0028 0 -2 2
4.2704 4.2757 -.0054 2 -1 2
A= 12.188 DA= .002
B= 14.6610 DB= .0006
C= 10.6628 DC= .0004
GAMMA= 74.87 DGAMMA= .01
BETA = 69.697 DBETA = .004
ALPHA= 94.14 DALPHA= .01
V=1696.6
12. 28-0283
Ni{NH3}6MoS4
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
6.3203 6.3394 -.0191 0 1 1
5.5402 5.5486 -.0083 1 1 1
4.0902 4.0897 .0005 1 1 2
3.7703 3.7603 .0101 1 2 0
3.4903 3.4939 -.0036 0 0 3
3.3403 3.3423 -.0020 1 0 3
3.4903 3.4939 -.0036 0 0 3
3.3403 3.3423 -.0020 1 0 3
3.2720 3.2700 .0019 2 2 0
3.1202 3.1217 -.0014 2 2 1
2.8802 2.8799 .0003 3 1 2
a=11.472 b= 7.960 c=10.482
da= .007 db= .002 dc= .006
v= 957
Triklin
Dexp Dcal d(D) h k l
6.3203 6.3157 .0045 1 0 0
5.5402 5.5396 .0006 1 1 1
4.0902 4.0919 -.0016 1 2 0
3.7703 3.7701 .0002 -1 0 1
3.4903 3.4906 -.0003 1 -1 2
3.3403 3.3391 .0012 2 1 1
3.4903 3.4906 -.0003 1 -1 2
3.3403 3.3391 .0012 2 1 1
3.2720 3.2733 -.0013 0 -3 1
3.1202 3.1221 -.0019 2 0 2
2.8802 2.8796 .0006 1 3 2
2.8002 2.8006 -.0004 0 3 2
A= 7.179 DA= .002
B= 12.5920 DB= .0008
C= 7.496 DC= .002
GAMMA= 96.09 DGAMMA= .01
BETA = 63.140 DBETA = .002
ALPHA= 84.76 DALPHA= .01
V= 593.6
13. 28-0630
BaNi7F18
Triklin
Dexp Dcal d(D) h k l
7.4674 7.4871 -.0197 0 1 1
6.5086 6.4971 .0115 0 -1 1
6.0234 6.0144 .0090 1 1 0
5.2024 5.1932 .0092 1 1 1
4.7654 4.7704 -.0050 0 2 0
4.6543 4.6704 -.0160 1 -1 1
4.5653 4.5705 -.0051 0 2 1
4.1234 4.1287 -.0053 -1 1 2
3.9312 3.9230 .0082 -1 2 0
3.7473 3.7435 .0038 0 2 2
3.6023 3.6017 .0006 -2 0 1
3.5202 3.5205 -.0002 1 -1 2
A= 7.470 DA= .001
B= 9.644 DB= .005
C= 10.257 DC= .002
GAMMA= 87.80 DGAMMA= .01
BETA = 95.21 DBETA = .06
ALPHA= 82.14 DALPHA= .01
V= 728.0
14. 28-0683
Ni{NH3}6CrO4
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
7.2504 7.2633 -.0129 0 0 2
6.8104 6.7261 .0843 0 1 1
5.1403 5.1521 -.0118 1 0 2
4.9305 4.9494 -.0189 1 1 1
3.6303 3.6316 -.0013 0 0 4
3.5603 3.5639 -.0036 1 1 3
2.9902 2.9893 .0009 1 1 4
2.9202 2.9170 .0032 2 0 3
2.2902 2.2907 -.0006 3 1 1
2.2702 2.2706 -.0004 1 3 2
2.0802 2.0799 .0003 2 3 0
2.0301 2.0300 .0001 3 2 1
a= 7.309 b= 7.589 c=14.53
da= .004 db= .006 dc= .04
v= 806
Triklin
Dexp Dcal d(D) h k l
7.2504 7.2515 -.0012 1 0 0
6.8104 6.8106 -.0002 1 1 0
5.1403 5.1396 .0007 1 0 2
4.9305 4.9310 -.0005 1 -1 1
3.6303 3.6305 -.0002 2 0 1
3.5603 3.5600 .0003 -2 -1 1
2.9902 2.9902 .0000 1 3 1
2.9202 2.9201 .0001 1 -2 3
2.2902 2.2902 .0000 3 1 3
2.2702 2.2702 -.0000 3 3 0
2.0802 2.0802 .0000 -3 -2 3
2.0301 2.0301 .0000 0 -2 6
A= 7.68918 DA= .00004
B= 9.60892 DB= .00009
C= 12.7948 DC= .0004
GAMMA= 72.5053 DGAMMA= .0007
BETA = 84.073 DBETA = .001
ALPHA= 97.182 DALPHA= .001
V= 884.56
15. 28-0684
Ni{NH3}6{MnO4}2
Triklin
Dexp Dcal d(D) h k l
6.8203 6.8236 -.0033 0 1 1
6.3705 6.3723 -.0018 1 1 0
5.9404 5.9432 -.0028 0 -1 1
5.6205 5.6141 .0064 1 -1 1
5.0505 5.0491 .0014 1 2 1
4.1703 4.1694 .0009 -1 1 1
4.0802 4.0768 .0034 2 0 1
3.7803 3.7811 -.0008 1 2 2
3.6003 3.6038 -.0035 2 2 1
3.5803 3.5786 .0017 1 3 0
3.4202 3.4194 .0008 -1 -2 1
2.9702 2.9716 -.0013 0 -2 2
A= 8.231 DA= .002
B= 12.249 DB= .005
C= 8.494 DC= .008
GAMMA= 82.67 DGAMMA= .04
BETA = 62.76 DBETA = .01
ALPHA= 78.85 DALPHA= .05
V= 746.2
16. 28-0685
Ni{NH3}6MoOS3
Triklin
Dexp Dcal d(D) h k l
5.5003 5.4828 .0175 1 0 1
5.3605 5.3733 -.0127 0 -1 1
5.3105 5.3088 .0017 -1 0 2
4.6604 4.6628 -.0024 1 1 0
4.2103 4.2190 -.0087 -1 1 2
4.0303 4.0317 -.0013 -2 0 1
3.7803 3.7800 .0003 -1 0 3
3.3902 3.3863 .0039 -2 1 0
3.2902 3.2909 -.0007 2 0 1
3.1102 3.1072 .0030 0 -1 3
2.9502 2.9507 -.0005 -2 1 3
2.8702 2.8703 -.0002 -1 0 4
A= 8.103 DA= .007
B= 6.29 DB= .01
C= 11.506 DC= .001
GAMMA= 95.38 DGAMMA= .08
BETA =108.88 DBETA = .03
ALPHA= 86.97 DALPHA= .03
V=552.8
17. 28-0686
Ni{NH3}6MoO2S2
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
6.5607 6.5721 -.0114 2 0 0
5.4004 5.4478 -.0473 2 0 1
4.3804 4.3814 -.0010 3 0 0
4.0002 3.9957 .0046 3 0 1
3.2902 3.2860 .0042 4 0 0
2.6302 2.6288 .0014 5 0 0
2.5701 2.5700 .0001 0 2 1
2.3402 2.3428 -.0026 3 1 3
2.3102 2.3095 .0007 4 0 3
2.2001 2.2023 -.0022 2 2 2
1.8701 1.8707 -.0006 6 1 2
a=13.144 b= 5.329 c= 9.7394
da= .003 db= .001 dc= .0002
V= 682.2
18. 28-0687
Ni{NH3}6{ReO4}2
Triklin
Dexp Dcal d(D) h k l
6.4405 6.4395 .0010 1 1 0
5.5003 5.4999 .0003 0 1 1
5.1004 5.1056 -.0053 0 -1 1
4.7603 4.7727 -.0124 -1 0 1
4.4803 4.4805 -.0002 1 1 1
4.3002 4.3043 -.0041 -1 -1 1
4.2303 4.2207 .0096 1 -1 1
3.8803 3.8700 .0104 2 0 0
3.4703 3.4692 .0011 1 -2 1
3.3403 3.3407 -.0004 -1 3 0
3.1603 3.1630 -.0028 2 1 1
3.0502 3.0529 -.0027 2 -1 1
A= 7.742 DA= .001
B= 11.276 DB= .006
C= 6.024 DC= .002
GAMMA= 88.80 DGAMMA= .06
BETA = 90.66 DBETA = .03
ALPHA= 84.90 DALPHA= .02
V=523.5
19. 28-0688
Ni{NH3}6WOS3
Triklin
Dexp Dcal d(D) h k l
5.5303 5.5319 -.0016 -1 2 0
5.3605 5.3539 .0066 0 1 1
5.3203 5.3203 -.0000 0 -1 1
4.7204 4.7149 .0055 -1 3 0
4.1903 4.1897 .0006 0 -3 1
4.0403 4.0415 -.0013 -1 2 1
3.8002 3.8056 -.0054 1 -2 1
3.4102 3.4119 -.0017 1 3 1
3.3203 3.3206 -.0003 -1 4 1
3.1202 3.1207 -.0005 -2 2 0
2.9702 2.9699 .0004 -1 5 1
2.8702 2.8704 -.0002 -2 0 1
A= 6.48411 DA= .00006
B= 19.463 DB= .002
C= 5.5621 DC= .0002
GAMMA= 93.447 DGAMMA= .005
BETA = 93.6214 DBETA = .0006
ALPHA= 89.110 DALPHA= .001
V=699.5
20. 28-0689
Ni{NH3}6WO2S2
Triklin
Dexp Dcal d(D) h k l
6.6505 6.6512 -.0007 0 1 1
5.5804 5.5856 -.0052 1 0 1
5.4204 5.4224 -.0020 0 -1 1
4.4404 4.4406 -.0002 -1 0 1
4.0202 4.0195 .0008 1 2 1
3.3203 3.3222 -.0020 0 -1 2
2.6602 2.6606 -.0003 1 1 3
2.6102 2.6090 .0011 0 1 3
2.5402 2.5393 .0009 2 -1 2
2.5202 2.5201 .0000 1 -3 1
2.4702 2.4706 -.0004 0 2 3
2.3502 2.3497 .0005 0 -1 3
A= 6.618 DA= .003
B= 9.65722 DB= .00005
C= 8.098 DC= .003
GAMMA= 83.43 DGAMMA= .02
BETA = 75.66 DBETA = .03
ALPHA= 76.93 DALPHA= .01
V= 487.48
21. 28-0690
Ni{NH3}6WS4
Triklin
Dexp Dcal d(D) h k l
6.2506 6.2629 -.0124 0 1 1
5.5402 5.5428 -.0026 -1 1 1
4.0902 4.0898 .0004 0 -1 1
3.7803 3.7838 -.0035 0 1 2
3.5003 3.4923 .0080 0 0 2
3.3203 3.3222 -.0019 1 -1 1
3.2702 3.2719 -.0017 2 0 0
3.1302 3.1315 -.0013 0 2 2
2.8702 2.8703 -.0001 1 1 2
2.8002 2.7965 .0038 -2 0 2
2.5701 2.5692 .0010 2 1 1
2.4402 2.4388 .0014 2 -1 1
A= 6.994 DA= .006
B= 7.5511 DB= .0002
C= 8.116 DC= .003
GAMMA=103.55 DGAMMA= .09
BETA =109.94 DBETA = .09
ALPHA= 63.41 DALPHA= .01
V= 358.6
22. 28-0691
NiBr2{NH2NH2}2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.1305 4.1295 .0010 1 1 1
4.0004 4.0004 -.0000 3 0 2
3.4504 3.4505 -.0000 4 0 2
3.0203 3.0203 .0000 3 0 3
2.8643 2.8650 -.0007 -5 0 1
2.7863 2.7877 -.0013 -4 0 2
2.2152 2.2162 -.0009 -1 2 1
2.1642 2.1634 .0008 -6 1 1
2.0562 2.0564 -.0002 8 0 1
2.0392 2.0406 -.0014 -3 2 1
2.0092 2.0092 -.0000 8 0 0
1.9472 1.9473 -.0001 -6 1 2
1.8332 1.8318 .0014 -1 2 3
a= 16.451 b= 4.6393 c= 9.7135 beta= 77.693
da=.001 db=.0006 dc=.0008 dbeta=.001
V= 724.3
Triklin
Dexp Dcal d(D) h k l
4.1305 4.1270 .0035 1 1 0
4.0004 4.0026 -.0022 0 1 1
3.4504 3.4480 .0025 0 -1 1
3.0203 3.0218 -.0015 2 1 1
2.8643 2.8649 -.0006 2 0 0
2.7863 2.7861 .0003 2 1 2
2.2152 2.2155 -.0003 1 2 0
2.1642 2.1640 .0003 2 2 1
2.0562 2.0562 -.0000 3 1 2
2.0392 2.0392 .0001 -2 1 0
2.0092 2.0099 -.0007 -1 -2 1
1.9472 1.9472 .0000 1 -1 3
1.8332 1.8332 -.0000 -1 0 4
A= 6.35 DA= .01
B= 4.597 DB= .005
C= 8.629 DC= .003
GAMMA= 66.35 DGAMMA= .09
BETA = 75.12 DBETA = .08
ALPHA= 74.58 DALPHA= .07
V= 219.1
23. 28-0693
Ni{ClO4}2*4H2O
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
6.7407 6.6663 .0744 2 0 0
5.6706 5.6899 -.0193 1 0 1
4.9403 4.9333 .0070 1 1 1
4.8603 4.9333 -.0730 1 1 1
4.5703 4.5756 -.0052 2 0 1
4.1102 4.1535 -.0432 2 1 1
3.9703 3.9744 -.0041 2 2 0
3.8803 3.8905 -.0102 0 2 1
3.2103 3.2036 .0067 1 3 0
3.1603 3.1589 .0013 4 1 0
3.0702 3.0617 .0085 1 0 2
2.8192 2.8231 -.0039 4 1 1
a=13.333 b= 9.901 c= 6.29
da= .001 db= .003 dc= .01
V= 830
Triklin
Dexp Dcal d(D) h k l
6.7407 6.7986 -.0579 -1 -1 1
5.6706 5.6522 .0184 1 1 1
4.9403 4.9406 -.0003 2 1 0
4.8603 4.8573 .0030 0 0 2
4.5703 4.5673 .0030 2 0 0
4.1102 4.1175 -.0072 0 2 0
3.9703 3.9687 .0015 2 2 0
3.8803 3.8821 -.0017 1 0 2
3.2103 3.2153 -.0050 0 2 2
3.1603 3.1548 .0055 -3 0 1
3.0702 3.0714 -.0011 0 -2 2
2.8192 2.8201 -.0009 1 1 3
A= 10.396 DA= .008
B= 9.044 DB= .005
C= 10.103 DC= .001
GAMMA= 65.719 DGAMMA= .004
BETA =105.72 DBETA = .06
ALPHA= 94.06 DALPHA= .07
V=832.1
24. 28-0695
NiCl2{NH2NH2)2
Triklin
Dexp Dcal d(D) h k l
4.0203 4.0244 -.0042 -1 1 1
3.5302 3.5286 .0016 1 1 0
3.1602 3.1641 -.0038 -1 -1 1
2.9572 2.9547 .0025 1 0 1
2.9012 2.9055 -.0043 0 1 2
2.8032 2.7999 .0032 0 0 2
2.6732 2.6699 .0032 0 -2 1
2.3962 2.3958 .0003 1 2 1
2.3422 2.3410 .0012 -1 3 1
2.1941 2.1931 .0010 -1 3 2
2.1251 2.1281 -.0029 -1 3 0
2.0521 2.0541 -.0019 1 0 2
A= 4.533 DA= .001
B= 7.527 DB= .005
C= 6.249 DC= .003
GAMMA=100.17 DGAMMA= .09
BETA =110.68 DBETA = .09
ALPHA= 70.91 DALPHA= .01
V= 188.1
25. 28-0696
Ni{CN}2*NH3*0.5H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.4906 7.5266 -.0359 1 1 0
7.1905 7.1946 -.0041 0 1 1
5.0303 5.0152 .0151 -2 0 1
4.8503 4.8568 -.0065 2 0 1
4.3804 4.3784 .0020 2 1 1
4.1903 4.1826 .0077 1 1 2
3.8602 3.8609 -.0007 -2 0 2
3.7102 3.7176 -.0074 2 0 2
3.6003 3.5973 .0029 0 2 2
3.5003 3.5034 -.0031 2 2 1
3.2302 3.2305 -.0003 1 3 0
3.0102 3.0149 -.0046 3 2 0
a= 11.272 b= 10.117 c=10.241 beta= 92.17
da=.009 db=.001 dc=.01 dbeta=.05
V= 1167
Triklin
Dexp Dcal d(D) h k l
7.4906 7.4878 .0029 0 1 1
7.1905 7.1932 -.0027 0 -1 1
5.0303 5.0245 .0058 1 0 0
4.8503 4.8400 .0103 -1 0 1
4.3804 4.3813 -.0009 0 -1 2
4.1903 4.1832 .0071 1 1 1
3.8602 3.8600 .0002 -1 0 2
3.7102 3.7211 -.0109 1 2 1
3.6003 3.5966 .0037 0 -2 2
3.5003 3.5044 -.0041 -1 1 2
3.2302 3.2271 .0031 1 1 2
3.0102 3.0103 -.0001 1 2 2
A= 5.240 DA= .005
B= 11.537 DB= .005
C= 9.848 DC= .002
GAMMA= 77.32 DGAMMA= .02
BETA =100.40 DBETA = .02
ALPHA= 90.05 DALPHA= .04
V= 570.9
26. 28-0697
Ni4OHF7
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
2.5602 2.5593 .0009 0 1 0
2.2302 2.2339 -.0038 2 0 0
1.7001 1.6997 .0005 1 0 2
1.4901 1.4893 .0008 3 0 0
1.2801 1.2796 .0004 0 2 0
1.1101 1.1104 -.0003 2 2 0
.9001 .9001 -.0000 1 0 4
a= 4.4679 b= 2.55926 c= 3.6757
da= .0001 db= .00003 dc= .0002
V= 42.03
27. 28-0972
Cs2NiCl2{NH2}4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.9203 7.9102 .0101 -1 0 1
7.4604 7.4669 -.0065 1 1 0
5.6103 5.6048 .0055 1 1 1
5.2404 5.2531 -.0127 -2 0 1
4.9305 4.9388 -.0083 0 2 0
4.6004 4.5911 .0093 2 0 1
4.3804 4.3813 -.0009 0 2 1
4.1503 4.1633 -.0130 2 1 1
3.6703 3.6717 -.0014 -2 1 2
3.1603 3.1634 -.0031 1 3 0
2.8502 2.8515 -.0013 2 3 0
2.7402 2.7397 .0005 4 1 0
a= 11.540 b= 9.878 c= 9.6040 beta= 98.72
da=.006 db=.004 dc=.0006 dbeta=.02
V= 1082
Triklin
Dexp Dcal d(D) h k l
7.9203 7.9285 -.0083 1 0 0
7.4604 7.4553 .0052 0 1 1
5.6103 5.6063 .0040 0 -1 1
5.2404 5.2370 .0034 1 1 2
4.9305 4.9356 -.0052 2 1 1
4.6004 4.5979 .0024 1 2 2
4.3804 4.3800 .0004 0 0 2
4.1503 4.1524 -.0021 2 0 1
3.6703 3.6675 .0028 0 -2 1
3.1603 3.1575 .0028 3 1 1
2.8502 2.8479 .0023 0 2 3
2.7402 2.7420 -.0019 -1 -3 1
A= 9.940 DA= .007
B= 11.331 DB= .007
C= 10.485 DC= .008
GAMMA= 57.48 DGAMMA= .03
BETA = 60.43 DBETA = .04
ALPHA= 62.03 DALPHA= .04
V= 831.8
28. 28-0992
Cs4NiCl2{NH2}8
Triklin
Dexp Dcal d(D) h k l
7.0407 7.0422 -.0015 0 1 1
6.5203 6.5113 .0090 -1 0 1
5.6205 5.6255 -.0050 0 -1 1
4.6704 4.6744 -.0040 0 1 2
4.5004 4.4983 .0021 -1 0 2
4.0202 4.0237 -.0034 0 2 0
3.8103 3.8170 -.0067 0 -1 2
3.7603 3.7628 -.0025 -2 -1 1
3.2602 3.2624 -.0021 0 0 3
3.0602 3.0616 -.0013 -1 1 3
3.0102 3.0082 .0020 1 -1 2
2.9302 2.9303 -.0001 -1 -1 3
A= 7.921 DA= .002
B= 8.756 DB= .002
C= 10.127 DC= .007
GAMMA= 70.61 DGAMMA= .02
BETA = 97.30 DBETA = .03
ALPHA= 80.30 DALPHA= .01
V= 640.3
29. 28-1064
NaCa2Ni2As3O12
Triklin
Dexp Dcal d(D) h k l
6.4606 6.4514 .0093 -1 1 0
5.6004 5.5938 .0066 1 1 0
4.2403 4.2387 .0016 1 2 1
4.1302 4.1313 -.0011 -1 2 1
3.8103 3.8082 .0021 1 -1 2
3.6303 3.6232 .0071 2 0 0
3.5903 3.5952 -.0049 0 3 1
3.2203 3.2227 -.0024 -1 -2 1
3.1802 3.1796 .0006 1 3 1
3.1002 3.1049 -.0048 -2 1 1
2.9783 2.9782 .0000 1 3 2
2.8712 2.8722 -.0010 2 2 2
A= 7.614 DA= .007
B= 10.959 DB= .001
C= 9.338 DC= .007
GAMMA= 94.81 DGAMMA= .01
BETA = 74.35 DBETA = .04
ALPHA= 77.396 DALPHA= .001
V=724.0
30. 28-1117
Na2Ni{SeO4}2
Triklin
Dexp Dcal d(D) h k l
6.5005 6.5877 -.0872 2 0 1
5.8103 5.8157 -.0054 0 1 0
4.4003 4.4000 .0003 2 1 1
4.3504 4.3488 .0015 -2 1 1
4.1903 4.1939 -.0036 0 1 2
3.9403 3.9294 .0109 0 0 3
3.7202 3.7245 -.0042 2 1 2
3.6403 3.6393 .0009 2 -1 2
3.2202 3.2178 .0024 0 -1 3
3.1102 3.1138 -.0035 -3 0 3
3.0602 3.0582 .0020 2 1 3
3.0202 3.0185 .0018 -2 1 3
A= 15.69 DA= .04
B= 5.818 DB= .002
C= 11.7941 DC= .0003
GAMMA= 89.71 DGAMMA= .03
BETA = 88.93 DBETA = .09
ALPHA= 88.53 DALPHA= .01
V=1079.5
31. 28-1610
C10H24Cl2CuN4O8
Triklin
Dexp Dcal d(D) h k l
8.1006 8.1017 -.0012 1 0 0
7.4005 7.4080 -.0074 0 1 0
7.1006 7.0974 .0032 -1 0 1
6.5007 6.4932 .0075 0 -1 1
6.2003 6.2005 -.0002 1 0 1
5.4803 5.4778 .0025 -1 -1 1
5.0103 5.0088 .0015 -1 0 2
4.4203 4.4222 -.0019 -1 -1 2
3.7203 3.7203 -.0000 1 1 2
3.4303 3.4303 .0000 0 2 1
3.1002 3.1003 -.0000 2 0 2
A= 8.219 DA= .002
B= 7.4711 DB= .0009
C= 11.580 DC= .002
GAMMA= 84.789 DGAMMA= .002
BETA = 98.66 DBETA = .02
ALPHA= 96.04 DALPHA= .02
V= 697.1
32. 28-1734
C6H10N2NiO4*3H2O
Triklin
Dexp Dcal d(D) h k l
7.1708 7.1696 .0012 1 0 0
6.9804 6.9889 -.0085 -1 1 0
6.4503 6.4641 -.0138 0 0 1
6.3505 6.3684 -.0179 -1 1 1
5.0402 5.0360 .0042 1 1 0
4.8804 4.8802 .0003 0 2 0
4.7003 4.6989 .0014 -1 -1 1
4.2704 4.2784 -.0080 -2 1 1
4.0002 4.0065 -.0063 1 0 1
3.6103 3.6107 -.0003 -1 1 2
3.5102 3.5043 .0059 1 1 1
3.4202 3.4201 .0002 -1 3 0
A= 8.630 DA= .002
B= 10.565 DB= .005
C= 7.343 DC= .006
GAMMA=112.46 DGAMMA= .05
BETA =118.30 DBETA = .01
ALPHA= 78.320 DALPHA= .008
V= 544.7
33. 28-1735
C8H20Cl2NiO14S2
Triklin
Dexp Dcal d(D) h k l
8.8803 8.8765 .0038 1 0 0
8.4610 8.4639 -.0030 0 1 0
5.0204 5.0311 -.0107 0 -1 2
4.6904 4.7001 -.0096 -1 -1 2
4.5703 4.5698 .0005 2 1 0
4.3604 4.3600 .0003 2 1 1
4.1102 4.1124 -.0022 1 -1 2
4.0002 4.0032 -.0029 0 -2 1
3.8602 3.8517 .0085 1 0 3
3.7303 3.7300 .0003 -1 0 3
3.6203 3.6176 .0027 -2 -1 2
3.5203 3.5208 -.0005 0 2 2
A= 9.36675 DA= .00003
B= 8.92391 DB= .00000
C= 12.58488 DC= .00002
GAMMA= 71.53276 DGAMMA= .00003
BETA = 87.3746 DBETA = .0001
ALPHA= 88.8296 DALPHA= .0001
V=996.7
34. 28-1736
C12H30Cl2NiO17S3
Triklin
Dexp Dcal d(D) h k l
10.3003 10.2943 .0060 1 0 0
9.5304 9.5221 .0083 0 1 0
7.4805 7.4855 -.0049 1 0 1
5.7603 5.7479 .0124 -1 -1 1
5.4004 5.4090 -.0086 2 1 0
5.1202 5.1304 -.0102 1 -1 1
4.9305 4.9252 .0053 -1 1 1
4.5902 4.5940 -.0038 0 0 2
4.1602 4.1567 .0035 -1 -2 1
3.9502 3.9472 .0030 2 1 2
3.8302 3.8307 -.0005 -1 2 0
3.7203 3.7218 -.0015 1 2 2
A= 11.263 DA= .002
B= 10.3124 DB= .0002
C= 9.41745 DC= .00008
GAMMA= 67.87 DGAMMA= .01
BETA = 78.171 DBETA = .005
ALPHA= 81.413 DALPHA= .005
V=988.6
35. 28-1789
C6H8NiO4S2*2H2O
Rombik
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
6.8803 6.8923 -.0120 1 0 0
5.9006 5.8954 .0052 0 1 1
5.1305 5.1284 .0021 0 2 0
4.9803 4.9803 .0001 1 0 1
4.1004 4.1144 -.0140 1 2 0
3.5902 3.6022 -.0120 0 0 2
3.4202 3.4189 .0012 0 3 0
3.2003 3.1925 .0078 1 0 2
3.0902 3.0888 .0014 0 3 1
a= 6.89 b=10.257 c= 7.20
da= .02 db= .002 dc= .01
V= 509
36. 28-1790
C22H20N6NiO2
Triklin
Dexp Dcal d(D) h k l
6.7006 6.7011 -.0006 1 -1 0
6.5607 6.5657 -.0050 -1 1 1
4.8003 4.8002 .0001 -1 -1 1
4.4003 4.4023 -.0019 0 2 1
4.1302 4.1333 -.0031 1 -1 1
3.7203 3.7181 .0022 -2 2 1
3.3802 3.3805 -.0003 0 2 2
2.8502 2.8507 -.0005 -3 2 2
2.5602 2.5600 .0002 -4 1 2
2.4301 2.4299 .0003 -1 -3 1
2.2101 2.2101 .0000 -4 1 3
2.1802 2.1801 .0001 0 -1 3
2.0802 2.0801 .0000 4 2 1
1.9401 1.9402 -.0001 -4 -1 3
1.8701 1.8701 .0000 -3 3 4
A= 10.976 DA= .007
B= 9.227 DB= .001
C= 8.143 DC= .001
GAMMA= 96.40 DGAMMA= .06
BETA =108.29 DBETA = .04
ALPHA= 70.49 DALPHA= .01
V= 738.05