1. 37-0225
Ni{H2AsO4}2*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.0501 11.0380 .0121 0 1 0
7.9309 7.9359 -.0050 1 1 0
4.1103 4.1128 -.0025 -2 0 2
3.9303 3.9316 -.0013 -3 0 1
3.4103 3.4096 .0007 -3 0 2
3.3602 3.3586 .0016 -1 3 1
3.1602 3.1607 -.0005 1 3 1
2.9902 2.9902 -.0000 -2 0 3
2.9402 2.9423 -.0021 0 0 3
2.6702 2.6692 .0010 1 0 3
a= 11.925 b=11.0380 c= 9.219 beta=106.765
da=.001 db=.0003 dc=.001 dbet=.001
V= 1161.9
2. 37-0226
Ni3{AsO3}2O
Triklin
Dexp Dcal d(D) h k l
4.9903 4.9896 .0008 1 0 1
4.1803 4.1798 .0005 1 1 2
3.1302 3.1305 -.0003 1 2 1
3.1203 3.1214 -.0011 1 -1 3
3.0902 3.0906 -.0003 1 2 0
3.0702 3.0720 -.0018 1 2 2
2.9302 2.9302 -.0000 1 2 3
2.5702 2.5708 -.0006 2 0 1
2.5302 2.5305 -.0003 0 -1 6
2.5102 2.5104 -.0002 1 -2 2
2.4002 2.3991 .0010 2 1 3
2.3502 2.3496 .0005 -1 -2 4
A= 5.24094 DA= .00005
B= 7.1375 DB= .0001
C= 17.710 DC= .0003
GAMMA= 81.997 DGAMMA= .001
BETA = 87.956 DBETA = .002
ALPHA= 79.876 DALPHA= .002
V=645.7
3. 37-0227
NiHAsO4*2H2O
Triklin
Dexp Dcal d(D) h k l
10.4809 10.4787 .0022 0 0 1
7.8404 7.8448 -.0043 1 0 0
6.7007 6.7007 .0001 1 1 0
4.8904 4.8901 .0002 -1 -1 1
4.3304 4.3338 -.0035 1 -1 1
3.8403 3.8347 .0057 2 0 2
3.1703 3.1721 -.0019 -1 1 2
2.9703 2.9719 -.0016 -2 1 0
2.7002 2.7021 -.0019 -2 1 1
2.6202 2.6197 .0005 0 0 4
2.5201 2.5200 .0002 0 1 4
2.4302 2.4285 .0016 -1 2 2
A= 9.322 DA= .005
B= 7.897 DB= .002
C= 11.504 DC= .008
GAMMA= 63.65 DGAMMA= .02
BETA = 66.02 DBETA = .02
ALPHA= 75.91 DALPHA= .03
V= 691.2
4. 37-0228
Ni3{AsO4}2*8H2O
Triklin
Dexp Dcal d(D) h k l
7.8606 7.8669 -.0063 -1 0 1
6.6506 6.6406 .0099 0 1 0
4.9003 4.8963 .0040 0 -1 2
4.3503 4.3495 .0008 1 1 1
3.8702 3.8682 .0020 0 1 2
3.1802 3.1803 -.0000 -2 1 2
2.9802 2.9800 .0002 0 1 3
2.7102 2.7092 .0010 -2 2 0
2.6402 2.6400 .0002 -2 -1 4
2.5201 2.5221 -.0020 2 -2 2
2.4402 2.4402 -.0001 2 2 1
2.3102 2.3101 .0001 -2 -2 4
A= 9.3428 DA= .0004
B= 6.83440 DB= .00008
C= 11.786 DC= .002
GAMMA= 88.286 DGAMMA= .002
BETA =100.884 DBETA = .004
ALPHA=103.66 DALPHA= .03
V= 718.1
5. 37-0229
Ni3{As2O7}O
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
3.2003 3.2010 -.0008 0 1 1
2.9502 2.9533 -.0030 -2 0 2
2.8102 2.8047 .0055 1 1 1
2.5201 2.5183 .0019 -1 1 2
2.4902 2.4898 .0004 0 1 2
2.4502 2.4523 -.0021 3 0 0
2.0301 2.0294 .0008 1 0 3
2.0301 2.0301 .0000 3 1 0
1.7501 1.7497 .0004 0 2 1
1.6801 1.6804 -.0003 -4 0 3
1.5501 1.5500 .0001 0 1 4
1.4801 1.4793 .0008 3 0 3
1.4401 1.4405 -.0004 -1 2 3
1.2701 1.2699 .0001 -6 0 1
a= 7.661 b=3.619 c= 7.1450 beta= 106.195
da=.001 db=.001 dc=.0001 dbet=.003
V= 190.2
Triklin
Dexp Dcal d(D) h k l
3.2003 3.1939 .0064 0 1 1
2.9502 2.9421 .0081 0 -1 1
2.8102 2.8105 -.0003 -1 1 0
2.5201 2.5195 .0007 0 2 0
2.4902 2.4876 .0026 -1 -1 1
2.4502 2.4493 .0009 -1 1 1
2.0301 2.0310 -.0009 0 -2 1
1.7501 1.7502 -.0001 0 -1 2
1.6801 1.6796 .0005 0 3 0
1.5501 1.5500 .0002 2 1 1
1.4801 1.4805 -.0004 1 3 1
1.4401 1.4395 .0006 1 2 2
1.2701 1.2703 -.0003 0 1 3
A= 3.676 DA= .002
B= 5.079 DB= .002
C= 3.895 DC= .003
GAMMA= 84.65 DGAMMA= .05
BETA = 97.02 DBETA = .02
ALPHA= 85.849 DALPHA= .003
V= 71.61
6. 37-0531
C4H10N4NiO8*2H2O
Triklin
Dexp Dcal d(D) h k l
8.1160 8.0974 .0186 0 1 1
7.3144 7.2907 .0237 1 0 1
6.5304 6.5244 .0060 0 -1 1
6.2995 6.2850 .0145 1 1 0
6.1514 6.1286 .0228 1 1 1
5.3405 5.3404 .0001 -1 -1 1
5.0393 5.0644 -.0250 1 1 2
4.7965 4.8107 -.0143 -1 1 2
4.4844 4.4832 .0012 0 0 3
4.3203 4.3219 -.0016 2 0 0
4.0043 4.0028 .0015 1 1 3
3.7022 3.7060 -.0038 -2 1 1
A= 8.66759 DA= .00003
B= 8.76898 DB= .00001
C= 13.84243 DC= .00002
GAMMA= 85.78233 DGAMMA= .00004
BETA = 88.68903 DBETA = .00004
ALPHA= 76.3265 DALPHA= .0001
V=1019.5
7. 37-0580
Ni{NH2NH2}3Br2
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
4.3303 4.3404 -.0102 1 0 1
4.0603 4.0598 .0005 1 1 1
3.4603 3.4618 -.0015 1 2 1
3.1303 3.1308 -.0005 1 3 0
3.0002 2.9986 .0017 1 0 2
2.9002 2.9012 -.0010 1 1 2
2.6502 2.6500 .0002 2 1 0
2.3602 2.3601 .0001 1 3 2
2.1202 2.1200 .0002 2 3 1
a= 5.447 b=11.48 c= 7.18
da= .002 db= .02 dc= .02
V= 449
8. 37-0581
Ni{NH2NH2}3Br2
Triklin
Dexp Dcal d(D) h k l
4.6604 4.6694 -.0089 -1 1 0
4.4103 4.4090 .0013 0 0 1
4.1304 4.1312 -.0008 0 -2 1
3.9703 3.9716 -.0013 -1 3 0
3.7703 3.7715 -.0011 0 -3 1
3.3803 3.3819 -.0015 0 -4 1
3.2002 3.2009 -.0006 0 6 0
3.0602 3.0583 .0019 -1 1 1
2.9303 2.9286 .0017 1 -4 1
2.8402 2.8467 -.0064 1 5 0
2.7702 2.7696 .0006 -1 6 0
2.5902 2.5929 -.0027 -1 -4 1
A= 4.74135 DA= .00006
B= 19.3628 DB= .0001
C= 4.43998 DC= .00001
GAMMA= 95.790 DGAMMA= .0003
BETA = 84.932 DBETA = .001
ALPHA= 94.9621 DALPHA= .0001
V=402.7
9. 37-0585
K2H8NiMo7O28*6H2O
Monoklin
Grupa 3,6,10
Dexp Dcal d(D) h k l
5.6305 5.6200 .0105 0 1 0
4.7003 4.7103 -.0100 -2 0 1
3.9203 3.9238 -.0035 1 1 1
3.6003 3.6100 -.0098 -2 1 1
3.2203 3.2202 .0001 2 1 1
3.0002 2.9970 .0033 3 1 0
2.8203 2.8237 -.0034 -2 1 2
2.4902 2.4841 .0061 2 2 0
2.4002 2.4021 -.0020 4 1 0
2.0302 2.0302 -.0000 -3 1 3
1.9701 1.9682 .0020 -4 0 3
1.7901 1.7897 .0004 0 0 4
1.6301 1.6300 .0001 4 0 3
1.4201 1.4200 .0001 -3 3 3
1.4101 1.4100 .0001 4 2 3
a= 10.820 b= 5.6200 c= 7.288 beta= 100.794
da=.001 db=.0002 dc=.001 dbet=.002
V= 435.3
Triklin
Dexp Dcal d(D) h k l
5.6305 5.6387 -.0082 -1 0 1
4.7003 4.7017 -.0014 0 1 0
3.9203 3.9198 .0006 0 -1 2
3.6003 3.6036 -.0033 1 1 0
3.2203 3.2212 -.0009 -1 0 3
3.0002 3.0014 -.0011 -1 1 2
2.8203 2.8193 .0009 -2 0 2
2.4902 2.4903 -.0002 2 1 0
2.4002 2.4004 -.0002 0 -2 1
2.0302 2.0299 .0003 -2 -1 4
1.9701 1.9700 .0001 -1 2 2
1.7901 1.7900 .0002 0 2 3
1.6301 1.6301 .0000 1 0 6
1.4201 1.4201 -.0000 -2 0 7
1.4101 1.4101 .0000 -4 1 3
A= 6.2330 DA= .0004
B= 4.8096 DB= .0004
C= 10.78468 DC= .00001
GAMMA= 93.25 DGAMMA= .01
BETA = 96.407 DBETA = .002
ALPHA=101.2718 DALPHA= .0002
V= 314.08
10. 37-0682
KFe0.5Ni0.5Cl3*2H2O
Triklin
Dexp Dcal d(D) h k l
5.7704 5.7714 -.0010 1 0 0
5.0103 5.0131 -.0028 0 1 1
4.7704 4.7618 .0086 0 -1 1
4.3303 4.3416 -.0113 -1 2 1
4.1302 4.1229 .0073 1 2 0
3.1202 3.1171 .0031 -1 4 0
3.0302 3.0308 -.0006 -2 0 1
2.9502 2.9502 .0000 1 2 1
2.8902 2.8857 .0045 2 0 0
2.7902 2.7915 -.0013 -1 0 2
2.6602 2.6574 .0028 -1 -1 2
2.6402 2.6402 -.0000 1 3 1
A= 6.28778 DA= .00002
B= 13.82135 DB= .00004
C= 5.66385 DC= .00005
GAMMA=100.26500 DGAMMA= .00001
BETA =112.0741 DBETA = .0002
ALPHA= 82.15231 DALPHA= .00005
V=447.6
11. 37-0686
RbFe0.5Ni0.5Cl3*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.2302 5.2396 -.0093 -2 1 2
4.7003 4.6976 .0027 -1 0 3
4.4603 4.4625 -.0022 -3 0 2
4.2303 4.2359 -.0055 3 1 0
4.1202 4.1224 -.0022 2 0 2
3.7303 3.7224 .0079 3 1 1
3.5603 3.5600 .0004 -4 0 1
3.3802 3.3771 .0031 -2 3 2
2.9402 2.9404 -.0002 0 2 4
2.8102 2.8108 -.0007 -2 0 5
2.7002 2.6990 .0011 2 4 1
2.6002 2.6009 -.0007 -1 4 3
a=14.280 b= 12.493000 c=14.093 beta= 108.925
da= .001 db=.001 dc=.001 dbet=.001
V= 2378
Triklin
Dexp Dcal d(D) h k l
5.2302 5.2224 .0079 0 0 1
4.7003 4.6906 .0097 0 -2 1
4.4603 4.4627 -.0024 1 2 0
4.2303 4.2212 .0092 1 0 1
4.1202 4.1127 .0075 0 -3 1
3.7303 3.7278 .0025 1 2 1
3.5603 3.5583 .0020 0 -4 1
3.3802 3.3773 .0029 1 -4 0
2.9402 2.9416 -.0015 -1 5 0
2.8102 2.8115 -.0013 -1 3 1
2.7002 2.6993 .0009 0 -6 1
2.6002 2.6027 -.0025 1 0 2
A= 5.2992 DA= .0008
B= 18.049 DB= .002
C= 5.411 DC= .004
GAMMA= 91.086 DGAMMA= .003
BETA = 75.61 DBETA = .03
ALPHA= 94.95 DALPHA= .01
V= 499.4
12. 37-1045
Ni4Ge7As8
Triklin
Dexp Dcal d(D) h k l
3.2883 3.2861 .0022 1 0 0
3.0162 3.0220 -.0057 1 1 1
2.8392 2.8404 -.0012 -1 -1 1
2.5892 2.5861 .0031 -1 0 2
2.3851 2.3847 .0005 1 0 2
2.0381 2.0382 -.0000 0 2 0
1.9791 1.9780 .0011 0 2 2
1.9421 1.9436 -.0015 -1 -2 1
1.8691 1.8704 -.0013 0 -2 1
1.6881 1.6888 -.0007 1 1 4
1.6431 1.6430 .0001 2 0 0
1.5711 1.5711 .0000 -1 1 4
A= 3.52066 DA= .00001
B= 4.45456 DB= .00006
C= 7.73187 DC= .00004
GAMMA= 69.4773 DGAMMA= .0002
BETA = 90.3461 DBETA = .0004
ALPHA= 78.6438 DALPHA= .0008
V=111.0
13. 37-1046
Ni3Ge2As6
Triklin
Dexp Dcal d(D) h k l
3.3392 3.3344 .0048 0 -1 1
2.8642 2.8621 .0021 0 -1 3
2.6122 2.6120 .0002 -2 0 2
2.5672 2.5658 .0014 0 -1 4
2.4232 2.4244 -.0012 0 1 4
2.2031 2.2003 .0028 -2 -1 1
2.0381 2.0385 -.0003 -2 -1 3
1.9381 1.9374 .0008 0 1 6
1.8761 1.8762 -.0001 3 0 0
1.8441 1.8458 -.0016 0 0 8
1.7904 1.7919 -.0015 -2 -1 5
1.7601 1.7599 .0002 2 -1 5
A= 5.637 DA= .002
B= 3.388 DB= .001
C= 14.792 DC= .003
GAMMA= 87.170 DGAMMA= .006
BETA = 88.99 DBETA = .04
ALPHA= 93.212 DALPHA= .009
V=281.6
14. 37-1211
Ni9SnTe13
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
5.3216 5.3151 .0064 -1 0 1
3.1427 3.1432 -.0005 0 1 1
2.8490 2.8501 -.0011 3 0 0
2.6673 2.6668 .0005 1 1 2
2.2263 2.2257 .0007 1 1 3
2.1015 2.1011 .0003 -2 0 3
1.9467 1.9463 .0004 3 1 3
1.6090 1.6118 -.0027 -1 2 1
1.5738 1.5738 .0000 5 1 1
1.4270 1.4269 .0001 -2 2 2
1.2439 1.2439 -.0000 -1 1 6
1.2216 1.2215 .0001 7 0 0
1.1508 1.1508 -.0001 5 2 4
a= 8.925 b=3.383 c= 8.8760 beta= 73.328
da=.001 db=.001 dc=.0001 dbet=.009
V= 256.7
Triklin
Dexp Dcal d(D) h k l
5.3216 5.3216 -.0000 1 0 0
3.1427 3.1425 .0002 1 1 1
2.8490 2.8492 -.0002 1 -1 1
2.6673 2.6674 -.0002 -1 -3 1
2.2263 2.2263 .0001 0 -1 2
2.1015 2.1013 .0001 2 1 1
1.9467 1.9468 -.0001 2 3 1
1.6090 1.6090 -.0000 -3 3 1
1.5738 1.5738 .0000 0 6 2
1.4270 1.4270 .0000 3 4 1
1.2439 1.2439 .0000 3 -4 1
1.2216 1.2216 .0000 0 9 1
1.1508 1.1508 .0000 -3 0 4
A= 5.5851 DA= .0002
B= 11.0649 DB= .0001
C= 4.9881 DC= .0001
GAMMA= 85.673 DGAMMA= .002
BETA =106.268 DBETA = .003
ALPHA= 81.712 DALPHA= .002
V= 290.6
15. 37-1212
Ni9SnTe13
Monoklin
Grupa 14
Dexp Dcal d(D) h k l
5.2838 5.2847 -.0009 1 1 0
3.3612 3.3609 .0003 0 2 0
2.8508 2.8506 .0002 3 0 0
2.6535 2.6536 -.0001 -1 1 2
2.0915 2.0913 .0001 0 1 3
1.9467 1.9468 -.0000 -2 2 2
1.6090 1.6091 -.0000 2 1 4
1.5738 1.5740 -.0002 3 0 4
1.4247 1.4248 -.0001 4 1 4
1.2507 1.2507 .0000 5 3 3
1.2216 1.2217 -.0001 7 0 0
1.1492 1.1492 .0001 5 1 5
a= 8.735 b= 6.7218 c= 6.7430 beta= 78.242
da=.001 db=.0006 dc=.0004 dbet=.007
V= 387.6
16. 37-1529
C21H24N4NiO2S2
Triklin
Dexp Dcal d(D) h k l
14.0012 13.9042 .0970 1 0 0
8.1907 8.1994 -.0087 0 1 0
8.0408 8.0467 -.0059 0 0 1
6.9903 6.9827 .0076 1 0 1
6.7107 6.7164 -.0057 1 1 0
6.2204 6.2156 .0048 1 -1 1
5.1503 5.1505 -.0002 0 1 1
5.0505 5.0525 -.0020 2 -1 1
4.5603 4.5602 .0002 -2 -1 1
4.1003 4.0997 .0006 0 2 0
3.9302 3.9305 -.0002 1 -1 2
A= 14.02 DA= .01
B= 8.5218 DB= .0007
C= 8.3018 DC= .0002
GAMMA= 97.257 DGAMMA= .007
BETA = 87.90 DBETA = .03
ALPHA=104.24 DALPHA= .02
V= 953.5
17. 37-1530
C21H24N4NiO2S2
Triklin
Dexp Dcal d(D) h k l
15.1006 15.1155 -.0149 1 0 0
8.4208 8.4204 .0004 -1 1 0
8.0103 8.0092 .0011 1 0 1
7.6606 7.6616 -.0010 -1 0 1
7.2504 7.2500 .0003 1 1 0
6.1704 6.1709 -.0005 1 1 1
4.5103 4.5103 -.0000 3 0 1
4.2904 4.2904 -.0000 -3 1 1
3.8503 3.8503 .0001 -2 1 2
A= 15.3386 DA= .0008
B= 9.308 DB= .001
C= 9.283 DC= .001
GAMMA= 99.367 DGAMMA= .008
BETA = 88.694 DBETA = .008
ALPHA= 80.863 DALPHA= .006
V= 1289.4
18. 37-1543
C20H16Cl2N4NiO2
Triklin
Dexp Dcal d(D) h k l
8.7428 8.7429 -.0001 1 0 0
7.7018 7.7029 -.0012 0 1 0
6.7152 6.7182 -.0030 -1 1 1
5.6476 5.6476 -.0001 1 0 1
4.5253 4.5264 -.0010 0 -1 1
4.3939 4.3938 .0000 0 2 1
3.9101 3.9097 .0004 -1 2 2
3.5627 3.5635 -.0008 1 2 1
3.2938 3.2934 .0004 1 2 0
2.2892 2.2892 .0000 -1 2 4
1.7581 1.7581 .0000 4 2 0
A= 9.097 DA= .005
B= 9.1178 DB= .0001
C= 9.172 DC= .005
GAMMA=105.47 DGAMMA= .05
BETA =101.39 DBETA = .08
ALPHA= 59.512 DALPHA= .005
V= 630.0 |
19. 37-1544
C20H16N6NiO8
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.8475 8.8472 .0003 1 1 0
7.6408 7.5750 .0658 1 0 2
6.6584 6.6160 .0424 1 1 2
6.1263 6.1262 .0001 2 0 1
4.5495 4.5493 .0002 2 2 1
3.7020 3.7020 .0000 3 0 3
3.1277 3.1277 .0000 1 1 5
1.9816 1.9816 .0000 -5 3 1
1.7471 1.7471 .0000 4 3 8
a= 12.2827 b=13.585 c=16.0949 beta= 71.645
da=.0008 db=.003 dc=.0001 dbeta=.001
V= 2549.1
20. 37-1545
C20H16I2N4NiO2
Triklin
Dexp Dcal d(D) h k l
8.7454 8.7463 -.0009 1 0 0
7.7098 7.7090 .0008 -1 1 0
6.7193 6.7328 -.0135 1 0 1
5.6515 5.6521 -.0006 1 1 0
4.5283 4.5285 -.0002 2 0 1
4.4034 4.4040 -.0006 0 2 1
3.9072 3.9083 -.0011 1 -2 1
3.5723 3.5721 .0002 1 1 2
3.3023 3.3019 .0003 1 -1 2
2.2882 2.2881 .0001 4 -1 2
1.7566 1.7566 .0000 1 5 0
A= 9.713 DA= .007
B= 10.09 DB= .01
C= 7.412 DC= .001
GAMMA=103.93 DGAMMA= .09
BETA = 70.84 DBETA = .06
ALPHA= 82.63 DALPHA= .01
V= 648.6
21. 37-1546
C24H22N4NiO6
Monnoklin
Grupa 3
Dexp Dcal d(D) h k l
8.8572 8.8574 -.0001 1 1 0
7.6494 7.6502 -.0008 0 0 2
6.6475 6.6476 -.0001 -2 0 1
4.5492 4.5493 -.0001 1 0 3
3.7023 3.7023 .0000 -3 0 3
1.9371 1.9372 -.0000 0 6 0
a= 13.853 b= 11.623 c= 15.495 beta= 99.084
da=.001 db=.001 dc=.001 dbet=.003
V= 2464
22. 37-1547
C20H16N4NiO6S
Monoklin
Grupa 4,11
Dexp Dcal d(D) h k l
8.8501 8.8549 -.0048 1 1 0
7.6487 7.6386 .0101 -1 0 1
6.6515 6.6517 -.0003 -1 1 1
6.1453 6.1432 .0021 2 0 1
4.5492 4.5479 .0014 2 2 1
3.7023 3.7026 -.0003 0 2 3
1.9393 1.9391 .0002 2 5 5
1.7511 1.7513 -.0002 2 6 5
a= 12.380 b= 13.530 c=14.030 beta= 71.077
da=.001 db= .001 dc= .001 dbet=.008
V= 2223
23. 37-1572
C80H68N2NiP4S4
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
11.0501 11.1004 -.0503 1 0 1
8.8009 8.8573 -.0564 2 0 0
6.8007 6.7831 .0176 0 1 0
6.3206 6.3346 -.0140 1 1 0
5.9006 5.9049 -.0043 3 0 0
4.4303 4.4287 .0016 4 0 0
4.2303 4.2290 .0014 4 0 1
3.7002 3.7001 .0001 3 0 3
2.5002 2.5002 .0000 3 2 3
a=17.715 b= 6.783 c=14.24
da= .003 db= .006 dc= .02
v=1712
24. 37-1574
C26H16N2NiS4
Triklin
Dexp Dcal d(D) h k l
16.0600 16.0525 .0075 0 1 0
8.8106 8.8105 .0000 1 0 0
7.3707 7.3707 -.0000 -1 1 1
6.8005 6.8005 -.0000 -1 -1 1
5.9003 5.9003 -.0001 -1 2 0
4.6704 4.6704 .0000 -1 1 2
3.8803 3.8803 .0000 2 2 0
3.3002 3.3002 .0000 1 -1 2
A= 9.5157 DA= .0001
B= 16.1905 DB= .0007
C= 9.5547 DC= .0001
GAMMA= 92.2234 DGAMMA= .0001
BETA =112.196 DBETA = .001
ALPHA= 82.5466 DALPHA= .0001
V= 1351.4
25. 37-1575
C26H24Cl2NiP2
Triklin
Dexp Dcal d(D) h k l
9.8208 9.8207 .0001 1 0 0
8.0408 8.0408 .0000 0 1 0
6.3203 6.3203 -.0000 1 0 1
5.9003 5.9003 .0000 -1 -1 1
5.5303 5.5303 .0000 0 0 2
4.6704 4.6704 .0000 1 1 1
4.0403 4.0403 -.0000 -2 1 2
A= 10.5517 DA= .0006
B= 8.1191 DB= .0001
C= 11.8342 DC= .0004
GAMMA= 95.976 DGAMMA= .001
BETA =110.19 DBETA = .01
ALPHA= 92.87 DALPHA= .02
V= 942.4
26. 37-1631
C14H10NiO6
Triklin
Dexp Dcal d(D) h k l
12.2007 12.1768 .0240 1 0 0
11.9009 11.8833 .0176 0 1 0
10.8804 10.8914 -.0110 0 1 1
8.7306 8.7252 .0054 1 0 1
7.3704 7.3691 .0012 1 1 1
6.3203 6.3196 .0008 0 1 2
5.3604 5.3615 -.0011 1 0 2
5.1705 5.1718 -.0014 -2 2 0
4.8203 4.8215 -.0012 2 1 0
4.5402 4.5398 .0004 0 -2 1
4.2903 4.2897 .0006 -3 1 0
A= 12.895 DA= .002
B= 13.8672 DB= .0009
C= 12.6856 DC= .0001
GAMMA=108.60 DGAMMA= .02
BETA = 93.50 DBETA = .02
ALPHA= 64.939 DALPHA= .005
V= 1940.3
27. 37-1643
C76H68N2NiP4S4
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
11.0507 10.9707 .0801 1 0 1
8.8010 8.8283 -.0273 0 0 2
6.8005 6.7681 .0324 0 1 0
6.3203 6.3197 .0005 0 1 1
5.9003 5.8855 .0147 0 0 3
4.4303 4.4412 -.0108 0 1 3
4.2303 4.2333 -.0030 1 1 3
3.7002 3.6973 .0029 0 1 4
3.5003 3.5003 -.0001 4 0 0
a=14.00 b= 6.768 c=17.66
da= .03 db= .002 dc= .01
V=1673
28. 37-1644
C22H16N2NiS4
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
16.0602 16.1673 -.1071 1 0 0
8.8106 8.8461 -.0356 0 2 0
7.3707 7.3525 .0181 2 1 0
6.8005 6.8010 -.0005 1 0 1
5.9003 5.8974 .0028 0 3 0
4.6704 4.6688 .0016 2 2 1
3.8803 3.8802 .0001 2 4 0
3.3002 3.3007 -.0005 4 2 1
a=16.17 b=17.692 c= 7.496
da= .02 db= .007 dc= .001
V=2144
29. 37-1645
C26H24Cl2NiP2
Rombik
Groupa 32,55
Dexp. Dcal. d(D) h k l
9.8208 9.8627 -.0419 0 2 0
8.0408 7.9296 .1112 1 2 0
6.3203 6.3166 .0036 2 1 0
5.9003 5.8972 .0030 1 3 0
5.5303 5.5238 .0064 2 2 0
4.6704 4.6817 -.0113 2 3 0
4.0403 4.0403 .0000 0 0 1
4.0403 4.0526 -.0123 3 2 0
a=13.336 b=19.72 c= 4.04028
da= .007 db= .04 dc= .00002
V=1063
30. 37-1775
C12H12*Ni2*N2{NH3}2{CN}4
Triklin
Dexp Dcal d(D) h k l
5.7540 5.7561 -.0021 1 0 1
5.1557 5.1566 -.0009 1 -1 0
4.8746 4.8739 .0007 3 0 1
4.6956 4.6960 -.0004 -3 1 0
4.3963 4.3958 .0005 4 0 1
3.6779 3.6774 .0005 4 -1 1
3.6190 3.6190 .0000 0 1 1
3.5620 3.5601 .0019 8 0 0
3.2321 3.2357 -.0036 7 0 1
3.0382 3.0400 -.0019 -6 1 1
2.9032 2.9045 -.0013 -9 0 1
2.7801 2.7804 -.0003 1 -1 2
A= 28.65032 DA= .00005
B= 5.2556 DB= .0001
C= 6.0903 DC= .0007
GAMMA= 93.703 DGAMMA= .007
BETA = 94.337 DBETA = .003
ALPHA= 99.47 DALPHA= .01
V=898.8
31. 37-1776
C1.44H1.44O0.24*Ni2{NH3}2{CN}4
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
7.6290 7.6976 -.0687 1 0 0
5.4716 5.4158 .0558 0 0 2
4.4398 4.4293 .0104 1 0 2
3.6190 3.6267 -.0077 2 0 1
3.2321 3.2237 .0083 2 1 0
2.8669 2.8594 .0074 1 1 3
2.7634 2.7701 -.0068 2 1 2
2.5497 2.5544 -.0047 1 0 4
2.2118 2.2147 -.0029 2 0 4
1.9334 1.9354 -.0020 0 3 1
1.8735 1.8770 -.0035 1 3 1
1.8040 1.8040 -.0000 4 1 1
1.7524 1.7515 .0009 2 3 0
a= 7.70 b= 5.90 c=10.83
da= .01 db= .01 dc= .02
v= 492
krit. 14.947850
32. 37-1803
C18H32N6Na2NiO8S4
Triklin
Dexp Dcal d(D) h k l
9.3033 9.3245 -.0212 1 0 0
8.1434 8.1502 -.0068 0 1 1
7.2604 7.2398 .0206 -1 0 1
6.4243 6.4175 .0068 -1 1 0
6.1044 6.1029 .0016 1 1 0
5.6305 5.6409 -.0104 0 -1 1
5.2385 5.2193 .0192 0 0 2
4.7084 4.7135 -.0051 -1 0 2
4.1363 4.1386 -.0023 2 0 1
3.9302 3.9305 -.0003 1 2 1
3.7383 3.7414 -.0031 -2 1 2
3.6203 3.6199 .0004 -2 0 2
A= 9.3864 DA= .0009
B= 9.0719 DB= .0005
C= 11.2502 DC= .0006
GAMMA= 94.85 DGAMMA= .01
BETA = 95.93 DBETA = .01
ALPHA= 68.5482 DALPHA= .0003
V=1885.7
33. 37-1807
C13H28N6Na2NiO7S3
Triklin
Dexp Dcal d(D) h k l
10.5518 10.5689 -.0171 0 2 0
8.1546 8.1497 .0049 0 1 1
7.2813 7.2951 -.0139 0 -1 1
6.4336 6.4360 -.0024 -1 1 1
5.9495 5.9628 -.0133 -1 2 0
5.2315 5.2316 -.0001 1 3 0
4.8773 4.8741 .0031 1 1 1
4.6344 4.6432 -.0088 1 2 1
4.4073 4.4002 .0070 1 4 0
4.0383 4.0389 -.0006 0 5 1
3.9344 3.9310 .0033 0 -1 2
3.6982 3.6999 -.0017 -1 -2 2
A= 7.7816 DA= .0008
B= 21.424 DB= .009
C= 8.738 DC= .004
GAMMA= 90.25 DGAMMA= .04
BETA =106.84 DBETA = .04
ALPHA= 80.97 DALPHA= .01
V= 1375.7
34. 37-1809
C10H20N6Na2NiO6S2
Triklin
Dexp Dcal d(D) h k l
9.2955 9.2890 .0065 -1 1 0
7.4995 7.5037 -.0042 1 1 0
6.4243 6.4284 -.0041 0 0 1
5.3893 5.3899 -.0005 2 0 0
4.3403 4.3392 .0011 0 -2 1
3.4142 3.4145 -.0003 0 -3 1
3.0873 3.0878 -.0006 1 -1 2
2.6522 2.6510 .0012 2 2 2
2.3292 2.3293 -.0002 1 5 1
2.1702 2.1696 .0006 0 -4 2
2.1122 2.1123 -.0001 1 -1 3
2.0491 2.0491 .0001 5 1 1
1.9081 1.9081 .0001 -2 2 3
1.8411 1.8413 -.0001 -3 -3 2
A= 11.120 DA= .001
B= 13.169 DB= .004
C= 6.50819 DC= .00004
GAMMA=101.72 DGAMMA= .03
BETA = 82.88 DBETA = .05
ALPHA= 86.12 DALPHA= .02
V= 921.8
35. 37-1828
C12H28N6NiS2
Triklin
Dexp Dcal d(D) h k l
8.8009 8.7954 .0055 1 0 0
8.2804 8.2727 .0077 -1 1 0
6.4503 6.4675 -.0172 1 0 1
4.8304 4.8166 .0138 0 2 0
4.3003 4.2934 .0069 -1 1 2
4.0803 4.0811 -.0009 -2 2 1
3.7703 3.7721 -.0018 0 -2 1
3.6203 3.6172 .0031 1 -1 2
3.5202 3.5209 -.0007 2 1 0
3.3702 3.3724 -.0021 0 3 1
3.2903 3.2870 .0033 1 2 2
3.2102 3.2110 -.0009 0 3 0
A= 9.5479 DA= .0002
B= 10.9746 DB= .0002
C= 9.3568 DC= .0002
GAMMA=112.607 DGAMMA= .006
BETA = 93.464 DBETA = .005
ALPHA= 72.0197 DALPHA= .0003
V=858.8
36. 37-1829
C12H28N6NiS2
Triklin
Dexp Dcal d(D) h k l
8.3609 8.4013 -.0405 1 1 0
7.2204 7.1900 .0304 0 1 1
6.8904 6.8876 .0028 1 0 1
6.3603 6.3852 -.0249 -1 1 0
5.7803 5.7760 .0043 2 0 0
4.9604 4.9714 -.0110 -2 -1 1
4.7903 4.7861 .0042 0 0 2
4.5903 4.5924 -.0021 0 2 0
4.4102 4.4156 -.0054 1 2 1
4.2904 4.2902 .0002 -2 1 1
3.9903 3.9860 .0043 -2 0 2
3.8003 3.8045 -.0042 -2 -2 1
A= 12.091 DA= .004
B= 9.617 DB= .001
C= 9.7437 DC= .0007
GAMMA= 75.04 DGAMMA= .02
BETA = 96.434 DBETA = .007
ALPHA= 83.369 DALPHA= .006
V=1075.2
37. 37-1830
C12H28N6NiSe2
Triklin
Dexp Dcal d(D) h k l
8.7109 8.7151 -.0042 1 0 0
7.5004 7.5000 .0004 0 1 0
6.4606 6.4515 .0091 1 0 1
5.7905 5.8000 -.0095 -1 0 1
5.1103 5.0982 .0121 0 1 1
4.6504 4.6512 -.0008 -1 1 1
4.3104 4.3070 .0034 -2 1 0
3.9303 3.9335 -.0032 1 -2 1
3.3203 3.3203 -.0001 -2 2 0
3.1103 3.1099 .0004 -1 -2 1
2.9302 2.9291 .0011 1 -1 3
2.7302 2.7305 -.0004 -2 1 2
A= 9.1977 DA= .0009
B= 8.075 DB= .003
C= 8.904 DC= .004
GAMMA=107.66 DGAMMA= .03
BETA = 79.78 DBETA = .01
ALPHA=105.29 DALPHA= .06
V= 604.47
38. 37-1870
C12H24Cl6N4NiO4
Triklin
Dexp Dcal d(D) h k l
8.8803 8.8849 -.0046 1 0 0
7.9708 7.9739 -.0031 0 1 0
6.9405 6.9322 .0083 -1 0 1
6.4405 6.4464 -.0059 1 1 0
6.0203 5.9996 .0207 -1 1 1
5.5503 5.5278 .0225 -1 1 0
4.8704 4.8562 .0142 1 1 1
4.5304 4.5362 -.0058 0 -1 1
4.1303 4.1354 -.0051 -2 1 1
3.3403 3.3389 .0014 0 2 2
3.1802 3.1804 -.0001 -3 0 1
2.9002 2.8997 .0005 -2 -2 1
2.7602 2.7606 -.0004 2 -1 1
A= 9.5561 DA= .0004
B= 8.5882 DB= .0005
C= 8.137 DC= .004
GAMMA= 88.877 DGAMMA= .007
BETA =109.81 DBETA = .01
ALPHA= 69.989 DALPHA= .002
V=583.2
39 37-1871
C12H24Cl6N4NiO4
Triklin
Dexp Dcal d(D) h k l
8.8404 8.8378 .0025 1 0 0
7.8907 7.8735 .0172 1 1 0
6.9405 6.9472 -.0068 -1 0 1
6.0203 6.0263 -.0060 0 -1 1
5.5403 5.5404 -.0001 1 1 1
4.8802 4.8831 -.0029 2 1 0
4.4904 4.4886 .0019 -1 1 1
4.1303 4.1356 -.0053 -1 -2 1
3.4202 3.4214 -.0012 2 2 1
3.2503 3.2503 -.0001 -2 -2 2
2.9002 2.8992 .0010 2 3 0
2.7702 2.7702 .0000 2 2 2
A= 10.03095 DA= .00361
B= 8.87121 DB= .00082
C= 9.30299 DC= .00444
GAMMA= 63.28387 DGAMMA= .02394
BETA =100.96150 DBETA = .07301
ALPHA= 95.60919 DALPHA= .04457
V=725.8
40. 37-1872
C12H24F6N4NiO4
Triklin
Dexp Dcal d(D) h k l
8.5603 8.6152 -.0549 -1 0 1
7.3807 7.3827 -.0020 0 -1 1
6.7805 6.7758 .0047 1 0 1
6.3004 6.3076 -.0072 0 0 2
5.7405 5.7533 -.0129 -1 -1 2
5.4904 5.4693 .0212 -1 1 0
4.9704 4.9657 .0047 -1 1 1
4.6904 4.6946 -.0042 2 0 0
4.4404 4.4322 .0082 -2 -1 2
4.2504 4.2473 .0031 -1 0 3
4.0803 4.0836 -.0034 2 0 1
3.9303 3.9366 -.0063 0 -2 1
A= 10.0186 DA= .0001
B= 8.160 DB= .002
C= 13.642 DC= .002
GAMMA= 75.22 DGAMMA= .01
BETA =107.671 DBETA = .004
ALPHA=107.446 DALPHA= .004
V=997.3
41. 37-1873
C12H24F6N4NiO4
Triklin
Dexp Dcal d(D) h k l
8.3901 8.3731 .0170 -1 1 0
7.2505 7.2555 -.0050 1 1 0
6.6806 6.6678 .0128 0 0 1
6.1104 6.0951 .0153 -1 1 1
5.4706 5.4667 .0039 2 0 0
5.1503 5.1331 .0173 0 -1 1
4.9303 4.9291 .0012 0 2 1
4.6603 4.6604 -.0001 -1 -1 1
4.4404 4.4425 -.0022 -2 0 1
4.0503 4.0410 .0093 2 0 1
3.8702 3.8622 .0080 2 1 1
3.6403 3.6445 -.0042 3 0 0
A= 11.156 DA= .003
B= 11.582 DB= .008
C= 6.98184 DC= .00005
GAMMA=100.07 DGAMMA= .07
BETA = 98.07 DBETA = .03
ALPHA= 73.64 DALPHA= .02
V=849.1 |
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