1. 35-0094
Ni3P6O18*17H2O
Triklin
Dexp Dcal d(D) h k l
7.5004 7.5003 .0002 -1 0 1
7.0206 7.0272 -.0066 0 1 1
6.7103 6.7016 .0087 0 -1 1
6.1104 6.1304 -.0200 1 0 1
5.7706 5.7734 -.0028 1 1 0
4.6304 4.6363 -.0059 0 1 2
4.3702 4.3686 .0016 2 0 0
3.8403 3.8402 .0002 1 -2 1
3.7002 3.6964 .0039 1 1 2
3.6303 3.6322 -.0019 -1 2 2
3.5302 3.5277 .0026 -2 2 1
3.3503 3.3508 -.0005 0 -2 2
A= 9.109 DA= .001
B= 9.267 DB= .001
C= 10.75113 DC= .00002
GAMMA=101.64 DGAMMA= .02
BETA =102.44 DBETA = .01
ALPHA= 84.885 DALPHA= .003
V=867.4
2. 35-0268
BaNi{PO3}4
Triklin
Dexp Dcal d(D) h k l
5.4703 5.4751 -.0049 1 1 0
5.2205 5.2204 .0001 0 1 1
4.7704 4.7788 -.0084 0 -1 1
4.5304 4.5241 .0063 1 0 2
4.1703 4.1739 -.0036 0 0 2
3.9803 3.9885 -.0082 -1 -1 1
3.7903 3.7892 .0011 2 0 2
3.6203 3.6227 -.0024 0 1 2
3.3503 3.3512 -.0010 1 -1 2
3.1802 3.1790 .0012 -2 1 0
2.9802 2.9843 -.0041 3 1 1
2.8302 2.8283 .0018 0 -2 1
A= 9.287 DA= .003
B= 6.434 DB= .001
C= 9.266 DC= .001
GAMMA= 75.96 DGAMMA= .02
BETA = 64.787 DBETA = .008
ALPHA= 79.39 DALPHA= .01
V=483.6
3. 35-0895
Ni{NH3}4{ReO4}2
Triklin
Dexp Dcal d(D) h k l
5.1703 5.1723 -.0020 -1 0 1
4.4103 4.4130 -.0027 -1 1 1
4.1003 4.0986 .0017 1 0 1
3.8002 3.8005 -.0003 -1 1 2
3.4202 3.4190 .0012 0 2 1
3.2002 3.2010 -.0007 -1 -1 2
3.0302 3.0336 -.0034 -1 2 1
2.8802 2.8762 .0040 -1 2 0
2.5402 2.5392 .0010 -1 2 3
2.1601 2.1604 -.0003 -1 3 2
2.0402 2.0400 .0001 -2 1 4
1.9001 1.9003 -.0001 -2 2 4
A= 5.437 DA= .001
B= 6.959 DB= .001
C= 9.776 DC= .004
GAMMA= 94.6017 DGAMMA= .0008
BETA =106.050 DBETA = .004
ALPHA= 77.527 DALPHA= .006
V=347.0
4. 35-1160
beta-MgNiH4
Monoklin
grupa 3
Dexp Dcal d(D) h k l
5.8103 5.8182 -.0079 -1 1 1
4.5601 4.5615 -.0014 2 0 0
3.8201 3.8203 -.0001 -1 1 3
3.7501 3.7484 .0018 0 2 1
3.6801 3.6807 -.0006 -2 0 3
2.9701 2.9678 .0023 0 1 4
2.8501 2.8515 -.0014 -2 1 4
2.7901 2.7888 .0013 1 0 4
2.4701 2.4712 -.0010 -3 1 4
2.4301 2.4298 .0003 1 3 1
2.3701 2.3706 -.0005 -4 0 2
2.2901 2.2885 .0017 -2 3 1
a= 9.510 b=7.839 c=13.370 beta=106.395
da=.0014 db=.002 dc=.001 dbet=.003
V=956.5
Triklin
Dexp Dcal d(D) h k l
5.8103 5.8000 .0102 0 0 1
4.5601 4.5618 -.0017 0 -2 1
3.8201 3.8183 .0019 -1 -1 1
3.7501 3.7449 .0053 1 -2 1
3.6801 3.6755 .0046 -1 2 0
2.9701 2.9697 .0004 2 0 0
2.8501 2.8514 -.0013 2 -1 1
2.7901 2.7913 -.0012 2 2 0
2.7201 2.7205 -.0004 0 3 1
2.4701 2.4705 -.0003 -2 -1 1
2.4301 2.4303 -.0003 -2 2 0
2.4301 2.4303 -.0003 -2 2 0
A= 6.1883 DA= .0009
B= 11.068 DB= .001
C= 6.1823 DC= .0007
GAMMA= 84.34 DGAMMA= .01
BETA = 76.549 DBETA = .002
ALPHA=103.428 DALPHA= .006
V=395.8
5. 35-1392
PuNiC2
Rombik
Groupa 21,35,38,65
Dexp. Dcal. d(D) h k l
3.7023 3.6938 .0085 1 0 0
3.6383 3.6321 .0061 0 1 1
3.0552 3.0492 .0061 0 0 2
2.5912 2.5898 .0013 1 1 1
2.3542 2.3515 .0027 1 0 2
2.2622 2.2608 .0014 0 2 0
1.9281 1.9283 -.0001 1 2 0
1.8551 1.8540 .0011 0 1 3
1.8161 1.8161 .0001 0 2 2
1.6571 1.6570 .0001 1 1 3
1.6461 1.6463 -.0002 2 1 1
1.6301 1.6297 .0004 1 2 2
a= 3.693797 b= 4.5215 c= 6.098
da= .000008 db= .0007 dc= .003
V= 101.85
Triklin
Dexp Dcal d(D) h k l
3.7023 3.6950 .0073 1 0 0
3.6383 3.6336 .0047 0 1 0
3.0552 3.0493 .0059 0 -1 1
2.5912 2.5900 .0012 1 0 1
2.3542 2.3529 .0013 1 -1 1
2.2622 2.2614 .0008 0 1 1
1.9281 1.9281 -.0000 1 1 1
1.8551 1.8545 .0006 0 -2 1
1.8161 1.8160 .0001 0 0 2
1.6461 1.6461 .0000 2 1 0
1.6461 1.6461 .0000 2 1 0
1.6301 1.6297 .0004 1 0 2
A= 3.695 DA= .002
B= 3.7972 DB= .0007
C= 3.79540 DC= .00015
GAMMA= 90.07 DGAMMA= .05
BETA = 89.993 DBETA = .009
ALPHA=106.885 DALPHA= .003
V=51.05
6. 35-1508
C2H6OS*Ni{CN}2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.1704 5.1674 .0030 2 0 0
4.3403 4.3380 .0023 2 1 0
3.9803 3.9814 -.0011 1 0 2
3.6802 3.6787 .0016 0 1 2
2.5372 2.5368 .0003 4 0 1
2.4779 2.4778 .0000 1 3 1
2.1831 2.1832 -.0000 -1 2 3
1.8611 1.8612 -.0000 -4 2 2
1.8251 1.8252 -.0001 5 2 1
1.7831 1.7831 .0000 -4 3 1
a= 10.3827 b= 7.9835 c= 8.328 beta=84.48
da=.0007 db=.0005 dc=.0006 dbeta=.01
V= 687
Triklin
Dexp Dcal d(D) h k l
5.1704 5.1708 -.0005 0 1 0
4.3403 4.3403 -.0001 0 -1 2
3.9803 3.9801 .0001 1 1 1
3.6802 3.6802 .0000 0 1 2
2.5372 2.5372 -.0000 1 2 1
2.4779 2.4779 -.0001 0 0 5
2.1831 2.1831 .0000 -2 0 2
1.8611 1.8611 .0000 2 2 3
1.8251 1.8251 .0000 1 1 6
1.7831 1.7831 .0000 2 -1 4
A= 5.1146 DA= .0003
B= 5.5049 DB= .0006
C= 12.5814 DC= .0003
GAMMA= 72.284 DGAMMA= .009
BETA = 87.014 DBETA = .006
ALPHA= 98.18 DALPHA= .01
V= 332.3
7. 35-1509
C3H7NO*Ni{CN}2
Monoklin
Dexp Dcal d(D) h k l
7.4807 7.4783 .0024 1 1 0
6.7206 6.7197 .0010 -1 1 1
5.0104 5.0177 -.0073 0 2 1
4.3403 4.3398 .0004 1 1 2
4.0303 4.0294 .0009 0 2 2
3.7403 3.7391 .0011 2 2 0
3.1802 3.1786 .0016 -3 0 2
2.9042 2.9036 .0006 -3 2 1
2.6402 2.6408 -.0006 3 1 2
2.5202 2.5203 -.0001 1 3 3
2.4372 2.4375 -.0003 -3 0 4
2.3011 2.3013 -.0002 4 2 0
a= 10.281 b= 11.106 c=11.904 beta= 100.32
da=.003 db=.008 dc=.004 dbeta=.01
V= 1337
8. 35-1510
C4H9NO*Ni{CN}2
TRiklin
Dexp Dcal d(D) h k l
5.3704 5.3650 .0055 1 0 0
5.0104 5.0104 .0000 1 1 0
4.6003 4.5913 .0090 -1 0 1
4.0503 4.0610 -.0107 -1 -1 1
3.7003 3.6998 .0005 0 -1 1
3.5903 3.5935 -.0033 1 0 1
2.9402 2.9421 -.0019 -1 0 2
2.7592 2.7543 .0049 0 1 2
2.4942 2.4961 -.0020 0 2 1
2.2772 2.2767 .0004 0 -2 1
2.0941 2.0952 -.0011 1 2 2
1.9371 1.9372 -.0001 2 1 2
1.7831 1.7827 .0004 2 3 1
A= 6.133 DA= .003
B= 5.793 DB= .001
C= 6.194 DC= .001
GAMMA= 64.37 DGAMMA= .01
BETA =102.07 DBETA = .01
ALPHA= 88.81 DALPHA= .01
V=192.7
9. 35-1584
C10H22N2NiO4S4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.2302 5.2300 .0002 1 1 0
4.4003 4.3983 .0021 -1 1 2
4.1302 4.1305 -.0003 0 0 3
3.2302 3.2301 .0001 2 0 1
2.4502 2.4501 .0000 -3 0 1
2.3302 2.3302 -.0001 1 3 1
2.2201 2.2201 .0000 -3 1 3
2.0802 2.0806 -.0004 2 3 0
2.0102 2.0106 -.0004 -2 0 6
1.9201 1.9200 .0002 0 4 0
1.7201 1.7199 .0003 -2 1 7
1.6201 1.6202 -.0001 -3 0 7
a= 7.360 b=7.6799 c= 12.770 beta= 103.97
da=.002 db=.0006 dc=.009 dbeta=.04
V= 700.4
10. 35-1626
C28H64Cl2N6Ni2O10
Triklin
Dexp Dcal d(D) h k l
10.1006 10.0895 .0110 0 1 0
7.4208 7.4176 .0032 0 1 1
6.2003 6.1966 .0037 0 -1 2
6.0203 6.0261 -.0057 1 1 0
5.5704 5.5765 -.0062 -1 1 1
4.9803 4.9812 -.0009 1 1 1
4.3003 4.2953 .0050 -1 0 3
3.9303 3.9274 .0029 -1 2 1
3.7002 3.7022 -.0020 -1 1 3
3.4003 3.3995 .0008 2 0 1
3.0502 3.0502 .0000 -1 3 0
2.8602 2.8606 -.0004 1 -1 4
A= 7.645 DA= .001
B= 10.3048 DB= .0005
C= 14.138 DC= .002
GAMMA= 86.65 DGAMMA= .01
BETA =103.219 DBETA = .001
ALPHA=101.7182 DALPHA= .0006
V= 1061.7
11. 35-1676
C8H4NiO4*4H2O
Triklin
Dexp Dcal d(D) h k l
10.4512 10.4531 -.0020 1 0 0
6.5203 6.5081 .0122 0 1 1
5.7305 5.7371 -.0066 0 -1 1
5.0803 5.0799 .0004 2 1 0
4.5003 4.5091 -.0087 1 1 2
3.8702 3.8668 .0034 -1 -1 2
3.8103 3.8111 -.0008 -2 1 0
3.4003 3.4008 -.0005 1 2 2
3.2403 3.2400 .0003 0 1 3
2.9482 2.9482 .0001 -1 1 3
2.8622 2.8614 .0008 -3 1 0
2.7982 2.7987 -.0005 1 2 3
A= 11.012 DA= .002
B= 8.0913 DB= .0009
C= 10.238 DC= .003
GAMMA= 71.93 DGAMMA= .006
BETA = 84.31 DBETA = .01
ALPHA= 81.14 DALPHA= .01
V= 855.5
12. 35-1677
C8H6NiO5*H2O
Triklin
Dexp Dcal d(D) h k l
9.5002 9.5369 -.0367 1 0 0
7.4903 7.5028 -.0125 1 0 1
7.2104 7.2107 -.0003 0 1 0
5.6805 5.6742 .0063 1 1 0
4.8403 4.8356 .0047 1 1 1
4.7602 4.7580 .0022 0 -1 2
3.7502 3.7514 -.0012 2 0 2
3.0652 3.0681 -.0029 1 2 1
2.9402 2.9400 .0002 -3 1 0
2.8802 2.8786 .0016 3 1 0
2.8302 2.8294 .0008 2 -2 2
2.8052 2.8068 -.0016 -2 -2 1
A= 9.5951 DA= .0001
B= 7.3544 DB= .0006
C= 10.982 DC= .001
GAMMA= 92.791 DGAMMA= .002
BETA = 83.904 DBETA = .002
ALPHA=101.23 DALPHA= .01
V=755.6
13. 35-1680
C8H12Cl2N2NiO3
Triklin
Dexp Dcal d(D) h k l
8.0907 8.1289 -.0382 1 0 0
7.5905 7.5991 -.0086 -1 0 1
6.1204 6.1267 -.0063 -1 1 1
5.9203 5.9182 .0020 -1 1 0
4.2803 4.2849 -.0046 -2 1 1
4.0202 4.0228 -.0025 1 1 1
3.7203 3.7193 .0010 0 1 2
3.6003 3.5986 .0017 0 2 1
3.5203 3.5218 -.0015 -1 -1 2
3.2702 3.2687 .0015 0 -2 1
3.1102 3.1088 .0014 2 0 1
3.0802 3.0807 -.0005 1 0 2
A= 9.235 DA= .001
B= 7.793 DB= .008
C= 9.048 DC= .008
GAMMA=101.48 DGAMMA= .03
BETA =117.52 DBETA = .02
ALPHA= 78.51 DALPHA= .05
V= 561.7
14. 35-1681
C14H16Br2N4NiO4
Triklin
Dexp Dcal d(D) h k l
8.3609 8.3704 -.0095 1 0 0
8.1503 8.1562 -.0060 0 1 0
7.3005 7.2965 .0041 1 0 1
6.3603 6.3823 -.0219 -1 0 1
5.1003 5.1081 -.0078 1 -1 1
4.8464 4.8467 -.0003 0 1 2
4.0803 4.0781 .0022 0 2 0
3.8903 3.8896 .0007 -1 1 2
3.5503 3.5506 -.0003 -2 -1 1
3.5102 3.5105 -.0002 2 1 2
3.3102 3.3105 -.0003 -2 1 1
3.1002 3.0999 .0003 -1 -1 3
2.9202 2.9207 -.0005 2 2 2
2.8802 2.8800 .0002 0 2 3
2.7902 2.7901 .0000 3 0 0
A= 8.523 DA= .001
B= 8.233 DB= .006
C= 11.772 DC= .005
GAMMA= 82.69 DGAMMA= .03
BETA = 81.535 DBETA = .006
ALPHA= 86.21 DALPHA= .02
V= 809.4
15. 35-1682
C14H16N6NiO10*H2O
Triklin
Dexp Dcal d(D) h k l
9.2502 9.2510 -.0008 -1 0 1
7.2204 7.2104 .0100 0 1 0
6.6406 6.6427 -.0020 0 1 1
5.6902 5.7009 -.0106 -2 0 1
5.3103 5.3051 .0052 -1 0 2
4.8603 4.8623 -.0019 0 0 2
4.7803 4.7772 .0031 -2 1 1
4.2204 4.2204 .0000 -2 1 0
3.6303 3.6293 .0011 -3 0 2
3.5503 3.5510 -.0006 -2 -1 2
3.4303 3.4307 -.0004 1 2 0
3.3503 3.3497 .0006 1 2 1
3.2102 3.2106 -.0004 -2 2 2
A= 11.582 DA= .001
B= 7.481 DB= .004
C= 11.028 DC= .002
GAMMA= 95.38 DGAMMA= .01
BETA =114.38 DBETA = .01
ALPHA= 74.59 DALPHA= .03
V= 838.9
16. 35-1697
C8H4N6NiO2*6H2O
Triklin
Dexp Dcal d(D) h k l
5.7503 5.7514 -.0011 2 0 1
5.3705 5.3637 .0068 1 1 1
4.7003 4.7010 -.0007 -1 -1 1
4.4902 4.4896 .0006 2 1 0
4.3804 4.3796 .0008 1 0 2
4.1503 4.1547 -.0045 0 0 2
3.9103 3.9145 -.0042 -1 2 0
3.6303 3.6315 -.0011 -2 -1 1
3.4903 3.4983 -.0080 -2 2 0
3.3602 3.3574 .0028 -1 2 1
3.1302 3.1298 .0004 2 2 0
3.0902 3.0853 .0049 3 -2 1
A= 12.5710 DA= .0001
B= 8.0432 DB= .0005
C= 8.79591 DC= .00001
GAMMA= 98.06 DGAMMA= .01
BETA = 71.00 DBETA = .01
ALPHA= 94.82 DALPHA= .02
V=832.4
17. 35-1698
C8H4N6NiO2*2H2O
Triklin
Dexp Dcal d(D) h k l
5.9503 5.9453 .0050 1 0 0
5.1004 5.1090 -.0086 0 1 0
4.6503 4.6409 .0093 0 1 1
4.3502 4.3496 .0006 1 1 0
3.9003 3.9041 -.0038 1 0 1
3.6103 3.6076 .0027 -1 1 1
3.4402 3.4406 -.0003 -1 -1 1
2.8402 2.8400 .0002 2 1 0
2.7202 2.7193 .0009 1 -1 1
2.5302 2.5300 .0001 1 2 1
2.4702 2.4706 -.0005 -2 1 1
2.3202 2.3205 -.0003 0 2 2
A= 6.1664 DA= .0002
B= 5.390 DB= .006
C= 6.593 DC= .005
GAMMA= 80.90 DGAMMA= .03
BETA = 99.65 DBETA = .05
ALPHA= 75.76 DALPHA= .08
V= 204.8
18. 35-1712
C44H24N12Ni
Triklin
Dexp Dcal d(D) h k l
10.2811 10.2429 .0382 1 0 0
9.5109 9.4927 .0182 -1 1 0
6.9206 6.9250 -.0044 0 0 1
5.7204 5.7536 -.0332 1 0 1
5.5703 5.5550 .0153 -1 2 0
5.1305 5.1215 .0091 2 0 0
4.7204 4.7463 -.0260 -2 2 0
4.4703 4.4673 .0030 -2 1 1
4.3002 4.2887 .0115 2 -1 1
4.1302 4.1300 .0002 2 0 1
3.9003 3.9035 -.0032 1 2 0
3.6403 3.6409 -.0007 -3 2 0
A= 11.3407 DA= .0006
B= 11.1854 DB= .0006
C= 6.9551 DC= .0007
GAMMA=115.4249 DGAMMA= .0003
BETA = 91.9672 DBETA = .001
ALPHA= 84.685 DALPHA= .008
V=793.5
19. 35-1713
C44H24N12Ni
Triklin
Dexp Dcal d(D) h k l
15.5012 15.6458 -.1446 1 0 0
9.9810 9.9929 -.0119 1 1 0
9.2098 9.2256 -.0158 1 -1 1
8.1909 8.1946 -.0036 -1 0 1
7.8308 7.8229 .0078 2 0 0
6.9907 7.0014 -.0107 2 1 0
6.2804 6.2740 .0064 0 -1 2
5.9903 5.9892 .0011 -2 1 0
5.6306 5.6308 -.0002 1 2 0
5.2205 5.2153 .0052 3 0 0
4.8203 4.8203 -.0000 3 -1 1
4.5504 4.5517 -.0013 -2 -1 2
A= 16.082 DA= .004
B= 12.931 DB= .003
C= 12.720 DC= .004
GAMMA= 86.01 DGAMMA= .02
BETA = 80.583 DBETA = .007
ALPHA=117.393 DALPHA= .007
V=2285.8
20. 35-1714
C44H24N12Ni
Triklin
Dexp Dcal d(D) h k l
15.5012 15.5128 -.0116 1 0 0
10.0410 10.0498 -.0088 -1 1 0
9.4104 9.4020 .0084 -1 0 1
9.0305 8.9844 .0461 1 0 1
8.0409 8.0304 .0105 -1 -1 1
7.7609 7.7564 .0045 2 0 0
6.9704 6.9471 .0234 2 -1 1
6.5603 6.5596 .0007 -2 0 1
5.7206 5.7174 .0031 -1 -1 2
5.4706 5.4676 .0029 2 -2 1
5.1905 5.1915 -.0010 -1 -2 1
4.8403 4.8401 .0002 2 -2 2
A= 16.048 DA= .004
B= 12.44750 DB= .00001
C= 12.845 DC= .007
GAMMA=104.61 DGAMMA= .04
BETA = 85.72 DBETA = .01
ALPHA=117.32 DALPHA= .04
V= 2203.7
21. 35-1715
C14H24N12Ni
Triklin
Dexp Dcal d(D) h k l
8.3506 8.3565 -.0058 1 1 1
7.9708 7.9740 -.0032 0 1 1
6.5103 6.5006 .0097 0 -1 1
5.9803 5.9778 .0025 -1 1 0
5.5003 5.5068 -.0066 -1 -1 1
5.3204 5.3330 -.0126 1 -1 1
5.1605 5.1671 -.0066 0 1 2
4.7403 4.7394 .0009 0 2 0
4.1004 4.1007 -.0004 1 -1 2
3.9503 3.9470 .0034 1 1 3
3.8503 3.8501 .0003 2 -1 1
3.7403 3.7420 -.0017 1 0 3
3.6203 3.6199 .0004 0 1 3
3.5602 3.5585 .0017 1 -2 1
3.4803 3.4811 -.0008 1 3 1
3.3803 3.3796 .0006 -2 -2 1
A= 11.0574 DA= .0002
B= 10.4692 DB= .0001
C= 11.8735 DC= .0002
GAMMA= 67.6265 DGAMMA= .0005
BETA = 68.3458 DBETA = .0006
ALPHA= 71.634 DALPHA= .001
V=1156.5
22. 35-1741
C5H5Cl2NNiO*H2O
Monoklin
grupa 3
Dexp Dcal d(D) h k l
8.7808 8.7881 -.0073 1 1 0
6.6406 6.6596 -.0189 1 0 1
5.9603 5.9525 .0078 -1 0 1
4.8203 4.8207 -.0004 0 2 1
4.6504 4.6465 .0039 2 1 1
4.4102 4.4045 .0058 -2 0 1
3.3602 3.3609 -.0006 -3 0 1
3.0902 3.0900 .0002 1 4 0
3.0002 2.9987 .0015 -1 2 2
2.9002 2.8987 .0015 -2 1 2
a= 12.198 b= 12.7840 c=7.400 beta=82.753
da= .001 db=.0002 dc=.001 dbet=.003
V=1145.6
23. 35-1745
C30H36N14NiO12*H2O
Rombik
Groupa 50
Dexp. Dcal. d(D) h k l
9.4004 9.4692 -.0688 1 1 0
7.2505 7.3137 -.0632 2 0 0
6.2003 6.2119 -.0116 0 2 0
4.5504 4.5388 .0116 3 1 0
3.9802 3.9846 -.0044 1 3 0
3.7502 3.7504 -.0001 0 0 1
3.2102 3.2106 -.0004 0 2 1
3.1502 3.1513 -.0012 4 2 0
2.9402 2.9398 .0004 2 2 1
2.8602 2.8588 .0013 2 4 0
a=14.63 b=12.424 c= 3.750
da= .02 db= .002 dc= .001
V=681.5
24. 35-1747
C30H36B2F8N12NiO6*2H2O
Monoklin
grupa 3
Dexp Dcal d(D) h k l
9.6012 9.6006 .0006 1 1 0
7.4607 7.4594 .0013 1 0 1
6.2403 6.2505 -.0102 1 2 0
5.2105 5.2062 .0043 -1 2 1
4.6304 4.6289 .0016 0 0 2
4.0102 4.0092 .0010 1 3 1
3.8802 3.8827 -.0025 0 2 2
3.8103 3.8103 -.0000 -3 1 1
3.2003 3.2002 .0001 3 3 0
a= 12.985 b=14.2630 c= 9.260 beta= 91.267
da= .001 db=.0003 dc=.001 dbet=.002
V=1714
Triklin
Dexp Dcal d(D) h k l
9.6012 9.6028 -.0016 1 0 0
7.5106 7.5068 .0038 1 1 0
6.2804 6.2755 .0049 0 0 1
5.2303 5.2303 -.0000 -1 0 1
4.6504 4.6498 .0006 2 1 0
4.0202 4.0190 .0013 0 -2 1
3.9202 3.9217 -.0014 -1 -2 1
3.8302 3.8310 -.0008 2 0 1
3.6203 3.6205 -.0002 0 2 1
3.2202 3.2200 .0002 3 1 0
A= 9.772 DA= .002
B= 9.791 DB= .007
C= 6.313 DC= .003
GAMMA= 79.35 DGAMMA= .02
BETA = 90.61 DBETA = .03
ALPHA= 96.21 DALPHA= .02
V= 590.1
25. 35-1777
C10H8F6NiO4*xH2O
Triklin
Dexp Dcal d(D) h k l
11.6009 11.5661 .0347 0 0 1
8.2709 8.2609 .0099 0 -2 1
6.1204 6.1292 -.0088 1 0 0
5.9203 5.9232 -.0029 1 -1 1
5.7105 5.7116 -.0011 1 1 0
5.5204 5.5326 -.0123 0 -2 2
4.9403 4.9345 .0058 -1 -1 1
4.7104 4.7136 -.0032 0 -4 1
4.1302 4.1305 -.0002 0 -4 2
3.9203 3.9207 -.0004 1 3 1
3.8203 3.8204 -.0001 -1 3 1
3.7703 3.7692 .0012 1 -4 2
A= 6.2740 DA= .0002
B= 19.247 DB= .006
C= 12.1607 DC= .0002
GAMMA= 96.50 DGAMMA= .01
BETA = 78.237 DBETA = .001
ALPHA=104.693 DALPHA= .008
V=1387.7
26. 35-1870
C15H12N6NiO7*0.5H2O
Triklin
Dexp Dcal d(D) h k l
8.0908 8.1182 -.0274 0 1 1
7.3702 7.3635 .0067 0 -1 1
6.9502 6.9526 -.0024 1 0 0
6.2003 6.2042 -.0039 0 2 0
5.9603 5.9605 -.0003 1 1 1
5.3405 5.3407 -.0002 -1 0 1
4.8603 4.8598 .0006 1 2 1
4.7403 4.7416 -.0013 0 1 2
4.3104 4.3104 -.0000 1 0 2
4.0604 4.0591 .0013 0 2 2
3.9202 3.9200 .0003 -1 2 1
A= 7.12955 DA= .00001
B= 12.664 DB= .001
C= 10.021 DC= .001
GAMMA= 79.981 DGAMMA= .008
BETA = 80.948 DBETA = .008
ALPHA= 82.85 DALPHA= .01
V=875.6
27. 35-1872
C11H10Cl2N4NiO
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
10.0002 9.9806 .0196 1 1 0
7.4808 7.5180 -.0372 1 2 0
7.2005 7.2640 -.0635 1 1 1
6.1205 6.1308 -.0103 1 2 1
4.6823 4.6783 .0039 1 1 2
5.0803 5.0726 .0077 2 0 1
4.5504 4.5498 .0006 1 4 0
3.9600 3.9596 .0004 0 5 0
a=11.56 b=19.798 c=10.592
da= .02 db= .005 dc= .002
V=2424
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
10.0002 10.0352 -.0350 0 1 1
7.4808 7.4727 .0081 1 0 0
7.2005 7.2100 -.0095 0 2 0
6.1205 6.1256 -.0051 -1 0 1
4.6823 4.6811 .0011 -1 0 2
5.0803 5.0870 -.0067 1 2 1
4.5504 4.5453 .0051 0 3 1
3.9603 3.9601 -.0002 0 3 2
a= 7.6100 b= 14.420 c=14.231040 beta= 79.0918
da=.0001 db=.001 dc=.001 dbet=.0004
V=1534
28. 35-1987
C28H32N6NiS2
Triklin
Dexp Dcal d(D) h k l
9.3694 9.3731 -.0036 1 0 0
7.9265 7.9498 -.0233 0 1 0
6.6433 6.6309 .0124 -1 0 1
6.0594 6.0611 -.0017 -1 -1 1
5.4263 5.4187 .0076 0 0 2
5.0224 5.0159 .0065 1 0 2
4.6883 4.6865 .0018 2 0 0
4.3024 4.3016 .0007 -2 -1 1
3.9762 3.9749 .0014 0 2 0
3.6953 3.6936 .0018 2 2 1
3.3453 3.3448 .0005 -1 -2 2
3.2412 3.2441 -.0029 -1 2 0
A= 10.223 DA= .003
B= 8.591 DB= .006
C= 10.953 DC= .003
GAMMA= 67.91 DGAMMA= .03
BETA = 82.207 DBETA = .005
ALPHA= 89.74 DALPHA= .01
V= 881.9