1. 36-0139
Ni{N3P2O7}2*2H2O
Triklin
Dexp Dcal d(D) h k l
8.7608 8.7530 .0078 0 1 1
7.1208 7.1495 -.0287 1 0 0
6.5103 6.4937 .0166 0 -1 1
5.6506 5.6522 -.0017 1 1 1
5.3905 5.3947 -.0042 1 0 1
4.9404 4.9392 .0012 0 1 2
4.7504 4.7479 .0024 0 0 2
4.2103 4.2067 .0036 -1 0 2
3.5803 3.5803 .0000 0 3 2
3.3602 3.3581 .0021 2 1 1
3.2703 3.2701 .0002 -1 -3 1
3.2403 3.2413 -.0010 2 2 1
A= 7.3298 DA= .0002
B= 12.4697 DB= .0004
C= 9.9657 DC= .0003
GAMMA= 79.49 DGAMMA= .01
BETA = 93.91 DBETA = .01
ALPHA= 73.846 DALPHA= .005
V=854.0
2. 36-0475
Ni{NH3}2{ReO4}2
Triklin
Dexp Dcal d(D) h k l
5.3504 5.3473 .0032 -1 1 0
3.5102 3.5072 .0030 -1 1 1
3.2802 3.2824 -.0022 -1 -1 1
2.9802 2.9790 .0012 -2 1 0
2.6002 2.6000 .0002 -2 0 1
2.2802 2.2797 .0005 1 -3 1
2.2002 2.1997 .0005 0 0 2
2.0801 2.0808 -.0007 -1 1 2
1.9401 1.9414 -.0013 -3 2 0
1.8701 1.8697 .0004 -3 0 1
1.8101 1.8103 -.0002 1 3 1
1.7601 1.7601 -.0000 -1 4 1
1.4601 1.4601 -.0000 -2 -3 2
1.4301 1.4300 .0001 -2 5 1
1.3601 1.3600 .0001 4 -1 1
A= 6.045 DA= .001
B= 7.927 DB= .001
C= 4.462 DC= .001
GAMMA=104.95 DGAMMA= .01
BETA = 97.28 DBETA = .03
ALPHA= 94.130 DALPHA= .005
V= 203.7
3. 36-0944
CaNiAlF6
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
3.5602 3.5604 -.0002 2 1 0
3.0603 3.0623 -.0020 2 1 2
3.0202 3.0231 -.0029 1 0 3
2.9362 2.9322 .0040 -2 0 2
2.8892 2.8873 .0019 2 0 3
2.5132 2.5132 .0000 0 1 3
2.3332 2.3322 .0009 4 1 1
2.3002 2.2997 .0004 -1 2 1
2.0691 2.0694 -.0002 5 0 2
2.0691 2.0694 -.0002 -4 1 1
2.0442 2.0440 .0001 4 1 3
1.9511 1.9506 .0005 3 2 2
a= 10.548 b=5.0000 c= 9.070 beta= 74.052
da= .001 db=.0009 dc=.001 dbet=.006
V= 459.9
Triklin
Dexp Dcal d(D) h k l
3.5602 3.5593 .0009 0 0 1
3.0603 3.0581 .0021 0 -2 1
3.0202 3.0196 .0006 -1 0 1
2.9362 2.9306 .0056 1 1 1
2.8892 2.8950 -.0058 -2 3 0
2.5132 2.5173 -.0041 0 4 0
2.3332 2.3331 .0000 -2 0 1
2.3002 2.3001 .0001 1 -4 1
2.0691 2.0690 .0002 -2 3 1
2.0442 2.0423 .0019 -2 5 0
1.9511 1.9510 .0001 1 -5 1
1.9261 1.9269 -.0008 3 -4 1
A= 7.2561 DA= .0004
B= 10.742 DB= .004
C= 3.61996 DC= .00005
GAMMA=109.565 DGAMMA= .007
BETA = 81.30 DBETA = .01
ALPHA= 98.42 DALPHA= .02
V=261.4
4. 36-0973
NiBeF4
Triklin
Dexp Dcal d(D) h k l
3.9803 3.9792 .0011 0 1 1
3.4202 3.4269 -.0067 1 -1 1
2.7302 2.7319 -.0017 -1 -1 1
2.4202 2.4199 .0002 2 1 0
2.3502 2.3501 .0001 0 0 2
2.2001 2.1980 .0021 1 2 1
2.1502 2.1487 .0014 3 0 0
2.1101 2.1103 -.0002 -3 2 1
2.0802 2.0799 .0002 1 1 2
1.8801 1.8809 -.0007 -1 -1 2
1.7601 1.7598 .0003 2 2 1
1.6201 1.6201 .0000 -2 -1 2
A= 7.1456 DA= .0003
B= 6.5783 DB= .0003
C= 4.7618 DC= .0004
GAMMA=115.529 DGAMMA= .006
BETA = 92.60 DBETA = .01
ALPHA= 80.8932 DALPHA= .0004
V=199.4
5. 36-0976
NiF2
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
3.1600 3.1617 -.0017 1 0 2
2.9300 2.9261 .0039 1 2 0
2.6400 2.6413 -.0013 0 3 1
2.5500 2.5476 .0024 0 2 3
2.3900 2.3903 -.0003 0 3 2
2.2900 2.2908 -.0008 1 3 0
2.0800 2.0800 .0000 2 0 0
1.6200 1.6203 -.0003 1 2 5
1.4700 1.4699 .0001 1 4 4
1.3900 1.3900 .0000 0 0 7
a= 4.1599 b= 8.23314 c= 9.7298
da= .0007 db= .00008 dc= .0009
V= 333.2
Monoklin
Grupa 3,6,10
Dexp Dcal d(D) h k l
3.1603 3.1549 .0054 0 0 2
2.9303 2.9338 -.0035 -1 1 1
2.6402 2.6391 .0011 -3 0 1
2.5502 2.5497 .0005 1 1 1
2.3902 2.3910 -.0007 3 0 0
2.2902 2.2889 .0013 -2 0 3
2.0802 2.0808 -.0007 2 1 1
1.6201 1.6196 .0006 1 2 0
1.4701 1.4708 -.0007 0 2 2
1.3901 1.3901 -.0000 -2 0 5
a= 7.928 b=3.3250 c= 6.974 beta= 115.205
da=.001 db=.0005 dc=.001 dbet=.001
V= 166.3
6. 36-1042
NiAs2F12
Triklin
Dexp Dcal d(D) h k l
3.9703 3.9742 -.0040 0 1 1
3.5403 3.5393 .0009 1 1 0
2.5902 2.5902 .0001 0 -1 1
2.4502 2.4470 .0032 2 1 1
2.1402 2.1408 -.0007 -2 0 1
2.0202 2.0205 -.0003 0 0 2
1.7901 1.7899 .0003 -2 -1 1
1.7202 1.7211 -.0010 1 -2 1
1.6301 1.6316 -.0015 0 -1 2
1.5601 1.5606 -.0005 3 1 2
1.5301 1.5302 -.0000 -1 3 0
1.4501 1.4500 .0001 -2 3 1
A= 5.690 DA= .002
B= 5.171 DB= .001
C= 4.490 DC= .002
GAMMA= 88.22 DGAMMA= .04
BETA = 80.43 DBETA = .02
ALPHA= 65.933 DALPHA= .007
V= 118.8
7. 36-1147
In3Ni2
Triklin
Dexp Dcal d(D) h k l
2.7972 2.7972 -.0000 2 1 0
2.6751 2.6741 .0010 0 1 1
2.5291 2.5283 .0008 -2 -1 1
2.4951 2.4953 -.0002 3 1 0
2.4621 2.4588 .0032 -2 0 2
2.3681 2.3675 .0006 -4 1 0
2.3101 2.3092 .0009 -3 -1 1
2.2071 2.2077 -.0006 4 1 0
2.0851 2.0833 .0017 -4 -1 1
2.0451 2.0457 -.0006 -6 0 1
1.5561 1.5554 .0007 -7 0 2
1.5351 1.5350 .0000 1 -1 3
A= 13.08 DA= .09
B= 3.2119 DB= .0006
C= 5.199 DC= .004
GAMMA= 93.88 DGAMMA= .07
BETA = 93.16 DBETA = .04
ALPHA= 92.22 DALPHA= .01
V= 217.4
8. 36-1270
Pd0.4Ni0.6S
Triklin
Dexp Dcal d(D) h k l
2.8502 2.8525 -.0023 0 1 1
2.8102 2.8086 .0016 -2 -1 1
2.7302 2.7307 -.0005 -2 0 1
2.5802 2.5793 .0009 2 2 0
2.1802 2.1804 -.0003 -2 1 1
2.1201 2.1177 .0025 3 1 1
1.9802 1.9812 -.0010 2 2 1
1.8601 1.8616 -.0015 1 3 0
1.7801 1.7804 -.0003 4 0 1
1.7401 1.7402 -.0000 -4 1 0
1.7001 1.7003 -.0002 -1 -2 2
1.6901 1.6898 .0003 -3 2 0
A= 8.3625 DA= .0006
B= 5.681 DB= .001
C= 3.808 DC= .001
GAMMA= 74.4008 DGAMMA= .0005
BETA = 92.25 DBETA = .02
ALPHA=100.25 DALPHA= .06
V=171.4
9. 36-1272
Pd0.7Ni0.3S
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
5.6506 5.6489 .0016 0 1 1
2.4802 2.4812 -.0010 2 1 3
2.2602 2.2613 -.0011 -1 3 1
2.1602 2.1618 -.0016 -2 1 2
1.9501 1.9511 -.0009 -2 2 2
1.8101 1.8112 -.0011 4 0 2
1.7501 1.7499 .0003 4 1 1
1.6501 1.6502 -.0001 -1 4 2
1.5001 1.4994 .0007 -2 3 3
1.4801 1.4801 .0000 4 3 1
1.4301 1.4299 .0002 1 0 6
1.3601 1.3599 .0002 5 0 0
a= 7.263 b= 7.848 c= 8.692 beta=69.412
da=.001 db=.001 dc=.001 dbet=.008
V= 463.8
Triklin
Dexp Dcal d(D) h k l
5.6506 5.6487 .0019 -1 2 0
2.4802 2.4811 -.0009 0 -1 1
2.2602 2.2602 -.0000 -1 1 1
2.1602 2.1597 .0005 -1 -2 1
1.9501 1.9498 .0003 -2 1 1
1.8101 1.8096 .0006 0 5 1
1.7501 1.7501 .0000 2 -6 1
1.6501 1.6505 -.0004 -1 6 1
1.5001 1.4999 .0002 -4 7 0
1.4801 1.4806 -.0005 0 -8 1
1.4301 1.4303 -.0002 -5 3 0
1.3601 1.3601 .0000 -2 8 1
A= 7.209 DA= .001
B= 14.5066 DB= .0002
C= 2.5118 DC= .0002
GAMMA=103.84 DGAMMA= .02
BETA = 83.852 DBETA = .002
ALPHA= 94.953 DALPHA= .009
V= 253.1
10. 36-1520
C14H14N4NiO2S2
Triklin
Dexp Dcal d(D) h k l
9.3801 9.3923 -.0122 1 0 0
7.4008 7.3897 .0111 -1 1 0
6.5903 6.5919 -.0015 0 1 1
5.9603 5.9613 -.0011 -1 1 1
4.9905 4.9828 .0077 1 -1 1
4.4404 4.4395 .0009 -2 1 0
4.1903 4.1860 .0043 2 1 0
3.7903 3.7998 -.0095 0 1 2
3.5203 3.5185 .0018 2 1 1
3.4102 3.4117 -.0015 2 2 0
3.2602 3.2611 -.0008 1 -1 2
3.1002 3.1003 -.0001 -3 0 1
A= 9.576 DA= .002
B= 10.8760 DB= .0009
C= 8.076 DC= .003
GAMMA= 95.32 DGAMMA= .01
BETA =100.27 DBETA = .02
ALPHA= 85.59 DALPHA= .04
V=822.9
11. 36-1521
C14H14N4NiO2S2
Triklin
Dexp Dcal d(D) h k l
6.4206 6.4147 .0059 1 0 0
5.7805 5.7729 .0076 -1 0 1
4.0603 4.0592 .0011 -1 -2 1
3.7203 3.7206 -.0003 1 0 1
3.3503 3.3496 .0007 -2 -1 1
3.2002 3.2073 -.0071 2 0 0
3.0802 3.0790 .0012 0 -1 2
2.9402 2.9378 .0023 -2 -2 1
2.5402 2.5384 .0018 0 4 0
2.3902 2.3901 .0001 -2 2 2
2.2402 2.2400 .0002 -3 0 2
2.0702 2.0695 .0007 3 1 0
A= 7.04691 DA= .00004
B= 10.32097 DB= .00007
C= 6.80680 DC= .00001
GAMMA= 88.81503 DGAMMA= .00006
BETA =114.272 DBETA = .001
ALPHA= 99.8510 DALPHA= .0004
V=444.0
12. 36-1522
C14H14N4NiO2S2
Triklin
Dexp Dcal d(D) h k l
9.2105 9.2084 .0021 1 0 0
7.4305 7.4315 -.0011 1 1 0
6.4903 6.4886 .0017 0 1 1
5.9003 5.8986 .0016 -1 0 1
5.0804 5.0834 -.0030 -1 -1 1
4.6503 4.6446 .0057 1 0 2
4.2202 4.2110 .0092 1 2 0
3.7903 3.7889 .0014 -2 0 1
3.4803 3.4814 -.0012 -2 1 0
3.2802 3.2773 .0030 3 1 0
3.0902 3.0898 .0004 -1 2 1
2.9702 2.9711 -.0009 2 -1 2
A= 10.3440 DA= .0006
B= 8.707 DB= .001
C= 9.9333 DC= .0008
GAMMA= 66.455 DGAMMA= .009
BETA = 72.027 DBETA = .007
ALPHA= 76.06 DALPHA= .01
V=773.0
13. 36-1620
C12H32Cl2N4Ni3O8S4
Triklin
Dexp Dcal d(D) h k l
8.8386 8.8298 .0088 1 0 0
7.3696 7.3853 -.0157 -1 1 0
5.6757 5.6756 .0002 0 0 1
5.3682 5.3660 .0022 1 -1 1
5.2730 5.2740 -.0010 0 -1 1
4.8971 4.8959 .0012 -1 2 0
4.7666 4.7666 -.0000 0 1 1
4.3289 4.3281 .0008 -2 1 0
4.2469 4.2471 -.0001 1 2 0
4.1109 4.1114 -.0005 2 -1 1
A= 9.35087 DA= .00001
B= 10.878 DB= .009
C= 5.9768 DC= .0009
GAMMA=101.61 DGAMMA= .06
BETA = 73.07 DBETA = .01
ALPHA= 99.91 DALPHA= .02
V= 565.5
14. 36-1624
C9H30Br2N6Ni
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
7.6703 7.6546 .0157 0 1 1
5.6703 5.6619 .0085 1 1 1
4.9103 4.9119 -.0016 2 0 0
4.4303 4.4288 .0015 -2 1 1
3.8903 3.8911 -.0009 2 1 1
3.3803 3.3787 .0016 0 3 1
3.0902 3.0900 .0002 1 1 3
2.7102 2.7104 -.0002 -1 1 4
2.5502 2.5515 -.0013 0 3 3
2.3302 2.3305 -.0003 3 2 2
2.2002 2.2000 .0002 -1 1 5
a= 10.0340 b= 10.650 c= 11.245 beta=101.744
da=.0005 db=.001 dc=.001 dbet=.002
V= 1176.5
Triklin
Dexp Dcal d(D) h k l
7.6703 7.6641 .0062 -1 0 1
5.6703 5.6693 .0010 0 1 1
4.9103 4.9098 .0005 0 -1 1
4.4303 4.4303 -.0001 -1 1 0
3.8903 3.8905 -.0002 -1 -1 2
3.3803 3.3804 -.0002 1 0 3
3.0902 3.0903 -.0001 -2 1 0
2.7102 2.7102 .0000 -2 1 4
2.5502 2.5501 .0001 2 0 3
2.3302 2.3302 -.0000 3 1 1
2.2002 2.2002 -.0000 1 2 4
A= 8.10141 DA= .00004
B= 5.8623 DB= .0006
C= 13.606 DC= .001
GAMMA= 87.61 DGAMMA= .01
BETA =105.43 DBETA = .01
ALPHA= 80.005 DALPHA= .008
V= 610.8
15. 36-1627
C8H20N6NiS2
Triklin
Dexp Dcal d(D) h k l
8.6404 8.6393 .0011 1 0 0
6.6506 6.6418 .0088 0 1 0
6.0904 6.0966 -.0062 -1 0 1
4.8503 4.8501 .0002 -1 -1 1
4.4603 4.4679 -.0076 1 1 2
4.2204 4.2121 .0082 -1 0 2
3.9603 3.9615 -.0012 1 -1 2
3.7202 3.7204 -.0001 2 1 2
3.4003 3.4064 -.0061 -1 1 2
3.1802 3.1811 -.0009 0 2 1
3.0002 2.9976 .0026 1 2 2
2.8802 2.8798 .0005 3 0 0
A= 9.1645 DA= .0002
B= 6.789 DB= .001
C= 11.64 DC= .02
GAMMA= 78.06 DGAMMA= .01
BETA = 74.20 DBETA = .01
ALPHA= 86.94 DALPHA= .04
V= 681.6
16. 36-1628
C8H20N6NiS2
Triklin
Dexp Dcal d(D) h k l
8.7904 8.7878 .0026 1 0 0
6.9502 6.9609 -.0107 1 1 0
5.5303 5.5144 .0159 0 -1 1
5.1205 5.1183 .0022 -1 1 1
4.6403 4.6330 .0073 0 0 2
4.3304 4.3313 -.0009 -1 0 2
3.9702 3.9711 -.0009 -2 -1 1
3.7903 3.7884 .0019 2 0 1
3.5503 3.5503 -.0000 -1 -2 1
3.4402 3.4393 .0009 0 -2 1
3.1903 3.1919 -.0016 -2 -1 2
3.1002 3.0994 .0008 -2 1 2
A= 9.144 DA= .001
B= 8.593 DB= .001
C= 9.54 DC= .01
GAMMA= 75.68 DGAMMA= .03
BETA = 94.05 DBETA = .03
ALPHA= 78.378 DALPHA= .005
V= 705.4
17. 36-1629
C8H20N6NiS2
Triklin
Dexp Dcal d(D) h k l
10.1609 10.1635 -.0026 1 0 0
8.2205 8.2151 .0054 1 1 0
5.7803 5.7810 -.0006 1 -1 1
5.1205 5.1199 .0006 2 1 0
4.7203 4.7160 .0043 2 0 1
4.0503 4.0510 -.0007 -1 1 1
3.6903 3.6888 .0014 1 0 2
3.4003 3.4009 -.0006 -1 -1 2
3.0102 3.0093 .0009 -3 -1 1
2.8202 2.8201 .0002 -3 0 1
2.5602 2.5599 .0003 4 2 0
2.3701 2.3698 .0004 0 -4 2
A= 10.7293 DA= .0009
B= 10.367 DB= .002
C= 7.7062 DC= .0008
GAMMA= 77.21 DGAMMA= .01
BETA = 80.52 DBETA = .02
ALPHA=105.35 DALPHA= .02
V= 783.0
18. 36-1630
C8H20N6NiS2
Triklin
Dexp Dcal d(D) h k l
9.9306 9.9177 .0129 1 0 0
8.8210 8.7856 .0354 -1 1 0
7.8108 7.8023 .0085 -1 0 1
6.9405 6.9393 .0012 0 1 1
5.4904 5.4817 .0087 0 -1 1
5.1305 5.1228 .0077 -2 0 1
4.8003 4.8160 -.0157 1 -1 1
4.6104 4.6209 -.0105 -2 1 2
4.3503 4.3498 .0005 -1 0 2
3.6602 3.6611 -.0009 -2 -1 1
3.4439 3.4431 .0007 -3 2 0
3.4003 3.4010 -.0007 -1 -1 2
A= 12.6930 DA= .0009
B= 11.254 DB= .001
C= 9.749 DC= .002
GAMMA=123.268 DGAMMA= .001
BETA =120.812 DBETA = .002
ALPHA= 63.373 DALPHA= .005
V=973.9
19. 36-1631
C8H24N8NiS2
Triklin
Dexp Dcal d(D) h k l
9.8709 9.8839 -.0130 1 0 0
6.4103 6.4156 -.0053 -1 1 1
5.7706 5.7736 -.0030 -1 -1 1
4.2103 4.2115 -.0012 -1 -1 2
3.8503 3.8498 .0005 0 -2 1
3.7302 3.7333 -.0031 1 1 2
3.6503 3.6511 -.0009 1 2 1
3.4402 3.4415 -.0013 -2 2 1
3.2503 3.2497 .0005 -3 0 2
3.1602 3.1604 -.0002 -3 -1 1
3.1002 3.1003 -.0001 -3 1 0
2.7902 2.7898 .0004 0 2 3
A= 10.4096 DA= .0005
B= 8.7910 DB= .0001
C= 10.5510 DC= .0004
GAMMA= 93.061 DGAMMA= .001
BETA =108.268 DBETA = .002
ALPHA= 83.252 DALPHA= .001
V=910.8
20. 36-1632
C8H24N8NiS2
Triklin
Dexp Dcal d(D) h k l
9.9812 9.9718 .0094 1 0 0
6.4903 6.4978 -.0074 1 1 1
5.7903 5.7856 .0047 -1 -1 1
4.2704 4.2685 .0018 0 2 0
4.0703 4.0715 -.0013 1 0 2
3.7402 3.7416 -.0014 -1 -1 2
3.6503 3.6552 -.0049 -2 -2 1
3.4602 3.4609 -.0007 3 1 1
3.2302 3.2306 -.0003 0 2 2
3.1302 3.1302 .0000 1 -2 1
2.8102 2.8113 -.0011 -1 2 2
2.6402 2.6393 .0009 4 1 1
A= 11.003 DA= .005
B= 9.463 DB= .007
C= 8.896 DC= .001
GAMMA= 65.03 DGAMMA= .04
BETA = 86.00 DBETA = .01
ALPHA= 83.248 DALPHA= .006
V= 833.6
21. 36-1849
C4H16N6NiO4
Triklin
Dexp Dcal d(D) h k l
7.0816 7.0937 -.0121 0 2 1
6.5592 6.5587 .0005 1 1 0
5.4713 5.4775 -.0062 1 -1 1
5.1264 5.1252 .0012 -1 1 1
4.7454 4.7428 .0026 1 3 0
4.5522 4.5560 -.0037 1 -1 2
4.2303 4.2315 -.0012 0 4 0
3.9344 3.9345 -.0001 -1 3 0
3.7393 3.7407 -.0014 -1 -3 2
3.6703 3.6637 .0066 1 -1 3
3.5762 3.5779 -.0017 0 -4 2
3.4803 3.4821 -.0019 1 -3 2
A= 6.72869 DA= .00004
B= 17.23034 DB= .00001
C= 13.26614 DC= .00001
GAMMA= 79.23645 DGAMMA= .00004
BETA = 84.3175 DBETA = .0002
ALPHA= 89.48209 DALPHA= .00005
V=1503