1. 33-0468
{PtPd}1.03Fe0.29Cu0.29Sb0.1
Triklin
Dexp Dcal d(D) h k l
2.7542 2.7549 -.0008 -1 0 1
2.4462 2.4461 .0001 -1 1 1
2.2122 2.2122 -.0000 1 -1 1
1.9531 1.9532 -.0001 -1 2 1
1.9311 1.9308 .0003 0 3 0
1.8121 1.8119 .0003 -1 1 2
1.7181 1.7180 .0001 -1 -2 2
1.5181 1.5182 -.0001 -2 0 1
1.3471 1.3465 .0006 1 -3 2
1.3281 1.3277 .0004 1 2 2
1.1681 1.1681 -.0000 0 -5 1
1.1531 1.1532 -.0001 1 4 1
1.1011 1.1011 -.0000 0 -5 2
A= 3.0668 DA= .0002
B= 5.87379 DB= .00001
C= 4.5347 DC= .0001
GAMMA= 91.754 DGAMMA= .003
BETA =101.514 DBETA = .007
ALPHA= 98.8425 DALPHA= .0005
V= 78.94
2. 33-0954
Ni{ReO4}*4H2O
Triklin
Dexp Dcal d(D) h k l
5.0703 5.0677 .0026 2 1 0
5.0505 5.0486 .0019 0 1 1
4.1003 4.1001 .0002 -2 -1 1
3.7803 3.7776 .0027 0 1 2
3.5703 3.5696 .0007 -3 -1 1
3.4703 3.4699 .0003 4 0 2
3.1703 3.1699 .0004 -3 0 2
3.0202 3.0195 .0007 4 -1 0
2.8402 2.8403 -.0001 2 2 0
2.7102 2.7102 -.0000 -2 0 3
2.5402 2.5391 .0011 -2 2 0
2.3902 2.3906 -.0005 -1 2 2
A= 16.72 DA= .02
B= 5.8228 DB= .0007
C= 9.772 DC= .007
GAMMA= 78.39 DGAMMA= .06
BETA = 75.24 DBETA = .07
ALPHA= 82.73 DALPHA= .05
V=899.3
3. 33-0956
Ni{TeO4}2*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.1305 5.1249 .0056 1 1 0
3.4703 3.4694 .0009 2 0 1
3.3802 3.3802 .0000 2 1 0
2.8002 2.8000 .0002 2 0 2
2.4301 2.4293 .0008 2 2 1
2.1402 2.1392 .0009 0 0 4
1.9601 1.9602 -.0001 2 3 0
1.8301 1.8306 -.0004 2 0 4
1.7001 1.7003 -.0002 -3 0 4
1.5401 1.5402 -.0001 -2 4 1
1.5101 1.5100 .0001 -5 1 1
a= 7.8024 b= 6.805 c= 8.571 beta= 93.331
da=.0001 db=.002 dc= .003 dbeta=.008
V= 454.3
4. 33-0957
NiTeO3
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.7564 4.7573 -.0010 1 1 0
3.8905 3.8898 .0008 0 2 1
3.1836 3.1848 -.0011 -1 2 1
2.8921 2.8911 .0010 0 3 0
2.7452 2.7466 -.0014 0 3 1
2.5351 2.5347 .0004 1 1 3
2.1228 2.1224 .0004 2 2 2
2.0283 2.0277 .0005 2 3 0
1.8965 1.8965 .0000 3 0 0
1.7346 1.7347 -.0001 0 5 0
1.5697 1.5699 -.0002 3 3 1
1.4702 1.4702 .0000 -2 0 5
a= 5.6941 b= 8.673 c= 8.804 beta= 87.69
da=.0008 db=.001 dc=.008 dbeta=.05
V= 434.5
5. 33-1027
K2NiP2O7*4H2O
Triklin
Dexp Dcal d(D) h k l
13.0010 12.9828 .0182 0 0 1
10.5005 10.5052 -.0047 1 0 0
6.9206 6.9168 .0038 -1 1 0
6.0703 6.0708 -.0005 -1 1 1
5.2604 5.2526 .0078 2 0 0
4.8202 4.8222 -.0020 2 1 0
4.0403 4.0418 -.0015 -2 1 1
3.8002 3.7981 .0021 3 1 2
3.4503 3.4517 -.0014 0 -2 2
3.1903 3.1909 -.0007 2 3 1
3.0802 3.0793 .0009 -1 3 0
2.9102 2.9103 -.0002 3 -1 3
A= 11.535 DA= .006
B= 10.742 DB= .004
C= 14.97 DC= .01
GAMMA= 76.94 DGAMMA= .01
BETA = 66.11 DBETA = .01
ALPHA= 68.10 DALPHA= .02
V=1568
6. 33-1029
K4NiW6O21
Rombik
Groupa 33,49,62
Dexp. Dcal. d(D) h k l
3.1432 3.1466 -.0034 0 1 1
2.9982 2.9986 -.0003 2 2 0
2.6042 2.6047 -.0005 1 2 1
2.4402 2.4453 -.0052 1 4 0
2.3921 2.3902 .0019 2 1 1
1.9921 1.9965 -.0043 1 5 0
1.8361 1.8376 -.0014 4 0 0
1.7591 1.7566 .0025 0 5 1
1.5851 1.5849 .0002 2 5 1
1.5671 1.5675 -.0004 3 4 1
1.4991 1.4993 -.0002 1 6 1
1.4551 1.4555 -.0004 5 1 0
1.3571 1.3574 -.0004 3 1 2
1.3301 1.3296 .0005 1 7 1
1.2171 1.2166 .0005 6 1 0
a= 7.350 b=10.372 c= 3.302
da= .003 db= .008 dc= .005
V= 251.7
Triklin
Dexp Dcal d(D) h k l
3.1432 3.1442 -.0010 1 1 1
2.9982 2.9974 .0009 1 1 0
2.6042 2.6054 -.0013 0 -1 1
2.4402 2.4403 -.0001 -1 0 2
2.3921 2.3930 -.0008 2 0 0
1.9921 1.9907 .0014 -1 1 2
1.8361 1.8363 -.0001 1 -1 2
1.7591 1.7594 -.0003 -2 0 2
1.5851 1.5860 -.0009 3 1 0
1.5671 1.5671 .0000 0 1 4
1.4991 1.4992 -.0001 3 1 3
1.4551 1.4550 .0001 -2 0 3
1.3571 1.3569 .0001 3 2 1
1.3301 1.3302 -.0001 -2 1 3
1.2171 1.2169 .0002 4 0 1
A= 5.094 DA= .001
B= 3.41651 DB= .00008
C= 6.714 DC= .001
GAMMA= 72.87 DGAMMA= .02
BETA = 75.41 DBETA = .03
ALPHA= 73.22 DALPHA= .02
V= 105.1
7. 33-1030
K6NiW9O31
Monoklin
Crupa 3
Dexp Dcal d(D) h k l
3.1203 3.1189 .0013 1 1 0
2.9902 2.9883 .0019 0 0 3
2.5882 2.5886 -.0004 3 0 3
2.3682 2.3701 -.0019 4 0 0
1.9831 1.9834 -.0003 4 1 1
1.8321 1.8324 -.0002 4 1 3
1.7411 1.7412 -.0001 -1 1 4
1.5801 1.5800 .0001 6 0 0
1.5641 1.5644 -.0003 2 0 6
1.4771 1.4771 -.0000 3 2 1
1.4511 1.4513 -.0002 -3 1 4
1.3501 1.3501 .0000 7 0 4
1.2981 1.2978 .0002 6 1 5
1.1881 1.1879 .0002 -5 1 4
a= 9.928 b= 3.303 c= 9.388 beta= 72.72
da=.009 db=.003 dc=.005 dbeta=.06
V= 293.9
8. 33-1031
K4NiW6O21*7.3H2O
Triklin
Dexp Dcal d(D) h k l
6.3704 6.3664 .0040 0 1 1
6.3404 6.3258 .0146 0 -1 1
4.5804 4.5869 -.0064 -1 1 1
4.4803 4.4732 .0071 -1 -1 1
3.9104 3.9091 .0012 1 1 1
3.6933 3.6894 .0039 -1 1 2
3.4533 3.4566 -.0033 -1 2 0
3.3023 3.3021 .0001 -1 -2 1
3.1642 3.1629 .0013 0 -2 2
3.0582 3.0592 -.0010 1 2 1
2.9362 2.9370 -.0008 0 -1 3
2.8522 2.8537 -.0015 -2 0 1
A= 5.734 DA= .005
B= 8.609 DB= .002
C= 9.606 DC= .002
GAMMA= 91.59 DGAMMA= .01
BETA =102.02 DBETA = .05
ALPHA= 89.318 DALPHA= .008
V=463.5
9. 33-1032
K6NiW9O31*12.6H2O
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
7.0608 6.9436 .1172 1 0 0
6.6302 6.5921 .0382 0 0 2
6.1404 6.1436 -.0033 1 0 1
4.1504 4.1472 .0032 1 1 2
3.5842 3.5737 .0106 1 2 0
3.3513 3.3573 -.0061 2 0 1
2.5782 2.5798 -.0016 1 3 0
2.3902 2.3904 -.0002 2 0 4
2.1131 2.1125 .0006 3 1 2
2.0011 2.0001 .0011 3 2 1
1.9331 1.9344 -.0013 3 2 2
a= 6.943 b= 8.336 c=13.18
da= .001 db= .002 dc= .03
V=763
10. 33-1773
C10H24N6NiO6
Triklin
Dexp Dcal d(D) h k l
9.7011 9.7681 -.0671 1 0 0
7.4005 7.3904 .0102 0 1 0
7.1006 7.1145 -.0139 0 0 1
6.4006 6.4111 -.0105 1 -1 1
5.9503 5.9595 -.0092 -1 0 1
5.5704 5.5627 .0078 1 0 1
5.1103 5.1125 -.0022 -1 -1 1
4.8704 4.8714 -.0010 -2 1 0
4.2504 4.2518 -.0014 0 1 1
4.1703 4.1696 .0007 -2 0 1
3.5402 3.5398 .0004 1 -2 2
3.4202 3.4200 .0002 -3 1 0
2.9802 2.9797 .0004 -2 0 2
A= 10.3765 DA= .0009
B= 8.786 DB= .003
C= 8.015 DC= .003
GAMMA=109.302 DGAMMA= .003
BETA = 84.84 DBETA = .02
ALPHA=117.141 DALPHA= .002
V=612.2
11. 33-1774
C6H4N6NiO4
Triklin
Dexp Dcal d(D) h k l
11.0001 10.9872 .0129 1 0 0
8.8307 8.8232 .0075 -1 1 0
6.2302 6.2333 -.0030 0 1 1
4.9203 4.9208 -.0005 0 -1 1
4.5203 4.5219 -.0015 0 2 0
3.7002 3.7007 -.0004 3 -1 1
3.5302 3.5306 -.0004 1 0 2
3.3002 3.2996 .0006 2 0 2
2.9402 2.9401 .0001 -3 0 1
2.8302 2.8303 -.0001 3 -1 2
2.6602 2.6601 .0000 1 3 0
2.4502 2.4502 .0000 1 3 2
1.8701 1.8701 .0000 3 -4 2
A= 12.069 DA= .001
B= 9.9139 DB= .0007
C= 7.1725 DC= .0005
GAMMA=109.96 DGAMMA= .02
BETA = 79.920 DBETA = .006
ALPHA= 80.60 DALPHA= .01
V= 770.8
12. 33-1775
C6H4N6NiO4*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.9903 4.9852 .0051 1 1 0
3.7803 3.7860 -.0057 3 0 2
3.4503 3.4513 -.0010 1 1 3
3.3102 3.3101 .0001 2 1 3
3.1703 3.1695 .0007 3 1 1
2.9802 2.9794 .0008 0 0 4
2.9302 2.9290 .0012 3 1 3
2.5902 2.5902 -.0001 1 2 2
2.5402 2.5409 -.0007 2 2 1
2.3502 2.3499 .0003 -2 2 1
2.3102 2.3100 .0001 5 0 2
2.2301 2.2304 -.0003 -2 0 4
a= 11.573 b=5.657 c=13.077 beta= 65.68
da=.005 db=.003 dc= .005 dbeta=.06
V= 780.2
Triklin
Dexp Dcal d(D) h k l
4.9903 4.9870 .0033 1 0 1
3.7803 3.7813 -.0011 1 -1 1
3.4503 3.4476 .0026 0 -1 1
3.3102 3.3087 .0015 1 1 1
3.1703 3.1688 .0015 1 1 0
2.9802 2.9811 -.0009 0 1 2
2.9302 2.9297 .0005 2 0 1
2.5902 2.5899 .0003 1 -1 2
2.5402 2.5399 .0003 -2 1 1
2.3502 2.3506 -.0004 0 -1 2
2.3102 2.3104 -.0002 -2 0 1
2.2301 2.2294 .0007 2 -2 1
A= 6.307 DA= .002
B= 5.4743 DB= .0002
C= 6.530 DC= .001
GAMMA=109.77 DGAMMA= .01
BETA = 76.68 DBETA = .02
ALPHA= 80.733 DALPHA= .002
V= 199.3
13. 33-1776
C16H2N2NiO7*3H2O
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
2.7602 2.7512 .0090 3 0 0
2.6402 2.6403 -.0001 3 1 0
2.5302 2.5340 -.0038 2 2 1
2.4301 2.4371 -.0070 1 3 1
2.3302 2.3326 -.0024 3 0 1
2.2601 2.2586 .0015 1 4 0
2.2001 2.1994 .0007 0 0 2
2.0901 2.0891 .0010 3 2 1
1.9901 1.9918 -.0017 0 2 2
1.9001 1.9008 -.0007 2 1 2
1.8001 1.7998 .0003 0 3 2
1.7101 1.7098 .0003 2 5 0
a= 8.254 b= 9.3931 c= 4.399
da= .001 db= .0009 dc= .002
v= 341.0
Triklin
Dexp Dcal d(D) h k l
2.7602 2.7604 -.0002 -1 1 1
2.6402 2.6403 -.0000 -1 -1 1
2.5302 2.5313 -.0012 1 3 0
2.4301 2.4304 -.0002 1 0 1
2.3302 2.3301 .0000 -1 -2 1
2.2601 2.2603 -.0001 1 -2 1
2.2001 2.1989 .0012 -2 2 1
2.0901 2.0907 -.0006 0 3 1
1.9901 1.9897 .0005 -3 2 0
1.9001 1.9006 -.0005 -1 5 0
1.8001 1.8007 -.0006 -3 0 1
1.7101 1.7100 .0002 -3 -1 1
A= 6.21 DA= .02
B= 9.546 DB= .006
C= 2.9479 DC= .0002
GAMMA=102.73 DGAMMA= .08
BETA =100.75 DBETA = .03
ALPHA= 89.041 DALPHA= .007
V= 167.4
14. 33-1779
C12H36N6NiO2P2*2SeCN
Triklin
Dexp Dcal d(D) h k l
15.2020 15.1335 .0685 0 0 1
9.4010 9.3760 .0249 1 0 1
7.9005 7.9069 -.0063 0 1 0
7.5008 7.5082 -.0075 -1 1 0
7.2504 7.2500 .0003 1 -1 1
7.0207 7.0151 .0055 0 -1 1
5.4703 5.4736 -.0033 0 -1 2
5.1004 5.0978 .0025 2 0 1
4.9002 4.8963 .0039 -1 -1 1
4.6704 4.6718 -.0014 1 1 2
4.4404 4.4440 -.0036 -2 0 1
4.0403 4.0404 -.0002 2 0 3
3.8002 3.7992 .0010 -2 1 2
3.6503 3.6447 .0056 1 -1 4
3.3802 3.3835 -.0033 1 -2 3
A= 10.887 DA= .003
B= 8.398 DB= .005
C= 15.60 DC= .01
GAMMA=109.71 DGAMMA= .02
BETA = 75.903 DBETA = .007
ALPHA= 94.85 DALPHA= .01
V=1303.9
15. 33-1780
C46H36I4N4NiO2S2
Triklin
Dexp Dcal d(D) h k l
12.6004 12.6052 -.0048 1 0 0
11.0007 11.0006 .0000 0 1 0
9.0610 9.0731 -.0121 0 0 1
8.2305 8.2222 .0082 -1 0 1
6.0605 6.0508 .0097 -2 -1 1
5.5003 5.5003 -.0001 0 2 0
4.9604 4.9575 .0029 0 -2 1
4.5804 4.5842 -.0038 -1 0 2
4.1103 4.1111 -.0008 -2 0 2
3.7403 3.7404 -.0002 -2 -3 1
3.6903 3.6912 -.0009 2 3 0
3.5803 3.5810 -.0007 -3 1 0
A= 13.6802 DA= .0003
B= 11.751 DB= .003
C= 9.447 DC= .002
GAMMA= 70.4235 DGAMMA= .0001
BETA =104.86 DBETA = .01
ALPHA=100.87 DALPHA= .02
V= 1374.1
16. 33-1781
C20H24N8NiP2S2
Triklin
Dexp Dcal d(D) h k l
3.9073 3.9066 .0007 1 0 0
3.5143 3.5148 -.0005 0 1 0
2.8312 2.8322 -.0010 0 -1 2
2.3832 2.3841 -.0009 0 -1 3
2.3041 2.3056 -.0014 1 1 1
2.1731 2.1742 -.0010 -1 -1 1
2.0901 2.0910 -.0008 0 1 4
1.9881 1.9882 -.0000 2 0 1
1.8461 1.8456 .0005 2 0 3
1.7861 1.7863 -.0002 -1 -1 3
1.7351 1.7368 -.0017 1 -2 2
1.6411 1.6395 .0016 0 -2 2
1.5451 1.5452 -.0001 2 1 1
1.5151 1.5148 .0003 -2 2 1
1.4441 1.4440 .0001 -2 2 2
A= 4.1644 DA= .0001
B= 3.6840 DB= .0001
C= 10.2829 DC= .0002
GAMMA=107.2908 DGAMMA= .0009
BETA = 79.460 DBETA = .001
ALPHA= 90.965 DALPHA= .001
V=147.9
17. 33-1782
C12H30N4NiO12
Triklin
Dexp Dcal d(D) h k l
7.9708 7.9756 -.0049 0 1 0
7.2403 7.2292 .0111 1 -1 1
5.5703 5.5710 -.0006 0 -1 2
5.2104 5.2110 -.0006 1 -1 2
4.6203 4.6249 -.0046 1 0 2
4.3804 4.3763 .0041 -1 2 0
4.0303 4.0250 .0053 2 0 1
3.9103 3.9109 -.0006 0 -2 2
3.7303 3.7261 .0042 -1 2 1
3.5303 3.5323 -.0020 -2 1 2
3.4002 3.4007 -.0004 -2 -1 1
3.1402 3.1400 .0002 2 -1 3
A= 9.787 DA= .001
B= 9.214 DB= .001
C= 12.099 DC= .003
GAMMA=114.011 DGAMMA= .002
BETA = 87.374 DBETA = .002
ALPHA=108.09 DALPHA= .05
V= 943.4
18. 34-0561
Ir3Ni12Ta5
Triklin
Dexp Dcal d(D) h k l
4.6804 4.6741 .0063 0 1 1
4.2514 4.2490 .0024 -1 1 1
4.0403 4.0428 -.0025 0 -1 1
3.6303 3.6331 -.0028 1 0 1
3.3043 3.3027 .0016 0 2 0
2.7012 2.7041 -.0029 2 0 0
2.5572 2.5567 .0005 1 2 0
2.4402 2.4388 .0014 -1 2 2
2.3342 2.3371 -.0028 0 2 2
2.2422 2.2388 .0034 1 1 2
2.1572 2.1570 .0002 -2 0 2
2.0222 2.0214 .0008 0 -2 2
A= 5.70665 DA= .00004
B= 6.94193 DB= .00005
C= 5.91950 DC= .00003
GAMMA=105.901 DGAMMA= .002
BETA =102.3773 DBETA = .0008
ALPHA= 78.7358 DALPHA= .0004
V=218.0
19. 34-0563
Ir0.9Ni1.1Ta4
Triklin
Dexp Dcal d(D) h k l
3.3583 3.3571 .0012 0 -1 1
2.5622 2.5609 .0012 0 -1 3
2.4852 2.4853 -.0001 2 0 0
2.4102 2.4095 .0007 2 0 1
2.3052 2.3050 .0002 -2 0 2
2.2502 2.2503 -.0001 2 -1 1
2.1712 2.1727 -.0015 -2 1 2
2.1032 2.1058 -.0026 1 -1 4
1.4857 1.4853 .0004 2 -2 3
1.4374 1.4376 -.0001 -2 -1 5
1.3761 1.3761 .0001 3 1 0
1.2868 1.2868 -.0000 2 2 1
A= 5.129 DA= .001
B= 3.638 DB= .001
C= 11.308 DC= .009
GAMMA=104.16070 DGAMMA= .00007
BETA = 92.24 DBETA = .05
ALPHA= 88.86 DALPHA= .01
V=204.6
20. 34-0565
Ir1.25Ni1.65Ta2.2
Monoklin
grupa 3
Dexp Dcal d(D) h k l
4.5304 4.5346 -.0042 1 1 0
3.3463 3.3472 -.0009 -2 1 1
3.1213 3.1203 .0010 2 1 0
2.6302 2.6315 -.0013 2 1 1
2.2762 2.2772 -.0010 3 1 0
2.1452 2.1462 -.0010 1 1 3
2.0102 2.0106 -.0004 -4 0 1
1.6538 1.6536 .0002 -4 0 5
1.5974 1.5973 .0001 -2 3 3
1.5623 1.5623 .0000 -2 2 5
a= 8.2590 b=5.716 c= 9.3310 beta= 115.595
da=.0007 db=.001 dc= .0003 dbet=.001
V=397.2
21. 34-1399
Na4Ni{PO4}2
Triklin
Dexp Dcal d(D) h k l
8.1204 8.0983 .0221 1 0 0
6.5003 6.5020 -.0017 0 1 1
5.9006 5.9099 -.0093 0 -1 1
5.7803 5.7625 .0179 -1 0 1
5.0904 5.0898 .0007 -1 2 0
4.7704 4.7681 .0022 1 1 1
4.4583 4.4553 .0030 1 -1 1
4.2353 4.2405 -.0052 -1 -2 1
3.9243 3.9206 .0038 2 1 0
3.8734 3.8712 .0022 -1 3 0
3.3813 3.3803 .0010 -1 1 2
3.2503 3.2510 -.0007 0 2 2
A= 8.210 DA= .002
B= 13.600 DB= .002
C= 7.0967 DC= .0004
GAMMA= 88.856 DGAMMA= .002
BETA = 99.205 DBETA = .005
ALPHA= 83.57 DALPHA= .01
V=777.5
22. 34-1446
NaNi{PO4}
Triklin
Dexp Dcal d(D) h k l
8.3404 8.3399 .0005 0 1 1
7.0507 7.0403 .0104 -1 0 1
6.2706 6.2849 -.0143 0 -1 1
5.5805 5.5909 -.0104 0 1 2
5.1802 5.1791 .0012 -1 1 1
4.6703 4.6668 .0035 1 1 2
4.4314 4.4306 .0007 -1 1 2
4.2592 4.2591 .0001 1 0 2
3.7083 3.7099 -.0016 2 2 0
3.3513 3.3531 -.0018 -1 -2 2
3.2972 3.2977 -.0004 -1 -1 3
3.1422 3.1425 -.0002 0 -2 2
A= 8.419 DA= .007
B= 10.049 DB= .005
C= 11.924 DC= .001
GAMMA= 70.26 DGAMMA= .03
BETA = 94.61 DBETA = .03
ALPHA= 76.23 DALPHA= .02
V=907.2
23. 34-1459
K2NiP2O7
Rombik
Grupa 17
Dexp. Dcal. d(D) h k l
9.2105 9.3047 -.0941 0 1 0
7.1003 7.1410 -.0407 0 0 2
5.6504 5.6650 -.0145 0 1 2
4.6203 4.6285 -.0083 1 1 0
4.2403 4.2381 .0022 0 1 3
3.8803 3.8840 -.0037 1 1 2
3.4002 3.4054 -.0052 1 2 1
3.3302 3.3273 .0029 0 2 3
3.1402 3.1475 -.0073 1 2 2
3.0302 3.0309 -.0007 0 3 1
2.9702 2.9674 .0029 1 0 4
2.8302 2.8233 .0068 1 2 3
a= 5.336 b= 9.305 c=14.28
da= .001 db= .006 dc= .013305
V= 709.0
24. 34-1588
C30H30Br2N6NiO4
Triklin
Dexp Dcal d(D) h k l
7.6307 7.6282 .0025 1 0 0
7.1305 7.1334 -.0029 1 1 0
6.3102 6.3066 .0037 1 0 1
5.3103 5.3058 .0045 -1 -1 1
4.8802 4.8801 .0001 -1 1 0
4.5003 4.4997 .0007 1 2 0
3.7703 3.7704 -.0001 2 1 1
3.4803 3.4803 -.0001 1 2 1
3.2903 3.2906 -.0003 -1 -2 2
3.0502 3.0503 -.0001 -2 0 1
A= 8.312 DA= .001
B= 9.744 DB= .004
C= 8.201 DC= .001
GAMMA= 73.52 DGAMMA= .02
BETA = 80.2895 DBETA = .0009
ALPHA=109.283 DALPHA= .009
V= 575.4
25. 34-1589
C14H16Br2N4NiO2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.1103 5.1057 .0046 2 1 0
4.9303 4.9357 -.0054 -2 0 1
4.8304 4.8308 -.0004 -1 0 2
4.4404 4.4430 -.0026 -2 1 1
3.8103 3.8091 .0012 -2 0 2
3.4503 3.4493 .0010 -1 0 3
2.9002 2.8991 .0011 -3 1 2
2.8002 2.8002 .0000 -2 3 1
2.6002 2.6011 -.0009 -3 2 2
2.3201 2.3200 .0001 2 4 1
2.2902 2.2903 -.0001 1 0 5
a= 11.931 b= 10.201 c= 11.461 beta= 81.33
da=.003 db= .003 dc=.008 dbeta=.01
V= 1379
Triklin
Dexp Dcal d(D) h k l
5.1103 5.1028 .0075 1 0 0
4.9303 4.9293 .0010 1 -1 1
4.8304 4.8319 -.0015 1 0 1
4.4404 4.4388 .0016 -1 1 0
3.8103 3.8097 .0006 0 1 1
3.4503 3.4549 -.0047 0 -2 1
2.9002 2.8984 .0018 1 0 2
2.8002 2.7994 .0008 1 2 0
2.6002 2.6000 .0002 2 -2 1
2.3201 2.3197 .0004 1 -3 2
2.2902 2.2906 -.0004 0 1 2
A= 5.853 DA= .007
B= 7.828 DB= .001
C= 6.2380 DC= .0009
GAMMA=105.75 DGAMMA= .02
BETA = 61.46 DBETA = .01
ALPHA=110.91 DALPHA= .03
V= 232.8
26. 34-1590
C18H14N4Ni
Triklin
Dexp Dcal d(D) h k l
9.1207 9.1570 -.0363 1 0 0
8.8510 8.8146 .0364 0 1 0
6.1506 6.1685 -.0180 0 1 1
5.4706 5.4651 .0055 0 -1 1
5.1003 5.0957 .0046 1 1 1
4.8704 4.8702 .0002 2 0 1
4.3503 4.3495 .0008 -2 2 0
4.0403 4.0392 .0011 0 2 1
3.8343 3.8336 .0007 0 0 2
3.6332 3.6347 -.0015 0 -2 1
3.4273 3.4279 -.0006 1 2 1
3.2783 3.2784 -.0001 3 -1 2
3.0082 3.0083 -.0001 -1 3 1
A= 11.230 DA= .004
B= 10.001 DB= .003
C= 8.37 DC= .01
GAMMA=117.39 DGAMMA= .05
BETA = 67.28 DBETA = .02
ALPHA= 94.48 DALPHA= .07
V= 764.6
27. 34-1593
C38H30Cl2N6NiO4
Triklin
Dexp Dcal d(D) h k l
7.2404 7.2211 .0193 1 0 0
6.8206 6.8238 -.0032 -1 1 0
6.0704 6.0701 .0003 0 -1 1
5.1503 5.1524 -.0021 1 -1 1
4.5704 4.5700 .0004 0 1 1
4.2403 4.2411 -.0008 1 1 0
3.6103 3.6105 -.0002 2 0 0
3.3302 3.3302 .0000 1 -1 2
3.1602 3.1601 .0001 2 -2 1
2.9402 2.9402 -.0000 -2 0 2
A= 8.1113 DA= .0007
B= 8.185 DB= .001
C= 7.7792 DC= .0002
GAMMA=113.98 DGAMMA= .03
BETA = 96.87 DBETA = .02
ALPHA=101.687 DALPHA= .005
V= 450.2
28. 34-1594
C14H16Cl2N4NiO2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.9903 4.9849 .0054 2 1 0
4.8003 4.8038 -.0034 0 0 2
4.7005 4.6977 .0028 2 0 1
4.3602 4.3604 -.0001 2 1 1
3.7403 3.7424 -.0021 -2 2 1
3.4003 3.3978 .0025 2 1 2
2.8602 2.8623 -.0022 3 0 2
2.7802 2.7806 -.0004 3 1 2
2.6202 2.6197 .0005 4 0 1
2.2902 2.2901 .0001 3 4 0
2.1702 2.1699 .0002 2 0 4
a= 11.025 b= 11.719 c= 9.615 beta= 92.29
da=.001 db=.004 dc= .009 dbeta=.05
V= 1241
Trilkin
Dexp Dcal d(D) h k l
4.9903 4.9912 -.0008 1 0 0
4.8003 4.7973 .0030 -1 1 0
4.7005 4.7026 -.0021 0 0 1
4.3602 4.3464 .0138 0 2 0
3.7403 3.7414 -.0011 -1 -1 1
3.4003 3.3994 .0009 -1 2 1
2.8602 2.8594 .0008 1 -1 1
2.7802 2.7791 .0010 -1 3 0
2.6202 2.6207 -.0005 1 1 1
2.2902 2.2901 .0000 0 -1 2
2.1702 2.1709 -.0008 -1 4 0
A= 5.62435 DA= .00004
B= 8.9181 DB= .0002
C= 5.17810 DC= .00005
GAMMA=102.757 DGAMMA= .001
BETA =114.6784 DBETA = .0006
ALPHA= 86.5149 DALPHA= .0003
V=229.8
29. 34-1595
C38H30I2N6NiO4
Triklin
Dexp Dcal d(D) h k l
8.0307 8.0338 -.0031 1 0 0
7.4808 7.4772 .0036 1 1 0
6.6105 6.6116 -.0011 -1 0 1
5.5105 5.5121 -.0017 -1 -1 1
5.1905 5.1889 .0016 1 1 1
4.8104 4.8107 -.0003 0 2 0
3.9503 3.9505 -.0001 0 1 2
3.8003 3.8001 .0002 1 -1 1
3.4303 3.4306 -.0003 2 1 1
3.1502 3.1501 .0001 -2 -1 2
A= 8.7276 DA= .0009
B= 10.391 DB= .003
C= 8.1763 DC= .0003
GAMMA= 74.75 DGAMMA= .01
BETA =103.262 DBETA = .008
ALPHA= 78.26817 DALPHA= .00002
V= 668
30. 34-1596
C14H16I2N4NiO2
Monoklin
grupa 3
Dexp Dcal d(D) h k l
5.2005 5.2066 -.0061 1 1 0
5.1003 5.1109 -.0106 0 0 2
4.9604 4.9548 .0056 -2 0 1
4.5504 4.5388 .0116 1 1 1
3.8802 3.8825 -.0023 0 1 2
3.6002 3.6010 -.0008 2 1 1
3.0002 3.0033 -.0031 -3 1 1
2.9602 2.9592 .0010 0 1 3
2.7002 2.7014 -.0012 -2 1 3
2.4202 2.4211 -.0009 -4 1 1
2.3902 2.3909 -.0007 -3 1 3
a= 10.710 b= 5.970 c=10.2880 beta= 96.494
da=.001 db=.001 dc=.0002 dbet=.004
V=653.3
Triklin
Dexp Dcal d(D) h k l
5.2005 5.2040 -.0035 1 0 0
5.1003 5.0996 .0008 0 1 0
4.9604 4.9630 -.0026 0 1 1
4.5504 4.5519 -.0015 1 1 0
3.8802 3.8860 -.0058 -1 -1 1
3.6002 3.6006 -.0004 -1 0 2
3.0002 3.0000 .0002 1 1 2
2.9602 2.9608 -.0006 -1 1 2
2.7002 2.7002 .0000 1 2 1
2.4202 2.4202 -.0000 1 2 2
2.3902 2.3896 .0006 -2 -1 2
A= 5.666 DA= .001
B= 5.593 DB= .001
C= 8.259 DC= .001
GAMMA= 72.02 DGAMMA= .03
BETA =100.16 DBETA = .06
ALPHA= 77.77 DALPHA= .03
V= 234.9