1. 39-0136
CoSn{PO4}2*4H2O
Triklin
Dexp Dcal d(D) h k l
7.8100 7.8085 .0015 1 0 0
4.2200 4.2178 .0022 -1 1 1
3.4700 3.4723 -.0023 1 -1 1
3.1700 3.1716 -.0016 -1 2 0
2.6300 2.6297 .0003 -2 2 1
2.4900 2.4911 -.0011 2 1 2
2.3900 2.3897 .0003 3 1 1
2.1000 2.0993 .0007 2 -1 2
2.0300 2.0300 .0000 -2 3 0
1.9700 1.9703 -.0003 3 -2 1
1.8000 1.7999 .0001 1 0 3
1.7400 1.7402 -.0002 0 -2 2
A= 8.001 DA= .001
B= 7.049 DB= .001
C= 5.819 DC= .001
GAMMA= 95.46 DGAMMA= .03
BETA = 81.55 DBETA = .02
ALPHA= 68.184 DALPHA= .008
V= 297.4
2. 39-0149
Sn{Co{NH3}5Cl}0.5H{PO4}2*1.51
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.4000 12.3182 .0818 0 0 1
9.1200 9.1147 .0053 1 0 0
4.2100 4.2103 -.0003 2 1 0
3.7500 3.7505 -.0005 2 0 2
2.7500 2.7501 -.0001 0 4 0
2.4800 2.4797 .0003 3 2 2
1.6300 1.6300 .0000 1 4 6
1.4400 1.4400 .0000 -3 2 7
a= 9.125 b= 11.000 c=12.33 beta= 87.24
da=.003 db=.001 dc=.01 dbeta=.08
V= 1236.5
3. 39-0504
ClO2Co{ClO4}3
Triklin
Dexp Dcal d(D) h k l
5.0200 5.0165 .0035 0 1 1
4.4500 4.4470 .0030 -1 0 1
4.0800 4.0781 .0019 1 1 0
3.7300 3.7295 .0005 0 2 0
3.5000 3.5011 -.0011 -1 -1 1
3.2200 3.2212 -.0012 -1 2 1
3.1200 3.1200 .0000 1 1 1
2.8800 2.8810 -.0010 -1 1 2
2.6000 2.6006 -.0006 -2 0 1
2.4500 2.4499 .0001 0 -1 2
2.2700 2.2695 .0005 -2 1 2
1.8700 1.8700 .0000 -1 4 1
A= 5.3118 DA= .0005
B= 7.694 DB= .001
C= 6.0211 DC= .0009
GAMMA= 97.08 DGAMMA= .03
BETA =108.199 DBETA = .008
ALPHA= 76.114 DALPHA= .004
V= 226.6
4. 39-0505
{NO2}2Co{ClO4}4
Triklin
Dexp Dcal d(D) h k l
6.3600 6.3701 -.0101 0 0 1
4.8500 4.8469 .0031 0 -2 1
4.0500 4.0445 .0055 -1 0 1
4.0200 4.0187 .0013 -1 -1 1
3.6900 3.6779 .0121 0 -3 1
3.6500 3.6448 .0052 -1 1 1
3.4000 3.4090 -.0090 -1 2 0
3.2000 3.1993 .0007 1 0 1
3.1900 3.1850 .0050 0 0 2
3.1700 3.1638 .0062 1 -1 1
2.9100 2.9114 -.0014 0 1 2
2.8700 2.8706 -.0006 -1 -2 2
A= 4.4246 DA= .0004
B= 11.8993 DB= .0004
C= 6.761 DC= .001
GAMMA= 85.620 DGAMMA= .002
BETA =105.021 DBETA = .002
ALPHA=103.406 DALPHA= .007
V=334.2
5. 39-0506
NO2Co{ClO4}3
Triklin
Dexp Dcal d(D) h k l
6.2700 6.2997 -.0297 1 0 0
4.4800 4.4682 .0118 1 1 1
3.9800 3.9838 -.0038 -1 -1 1
3.8100 3.8107 -.0007 1 -1 1
3.6500 3.6494 .0006 0 0 2
3.6300 3.6283 .0017 -1 1 1
3.3300 3.3282 .0018 1 0 2
3.1600 3.1632 -.0032 1 1 2
3.1500 3.1498 .0002 2 0 0
3.0800 3.0797 .0003 2 1 0
2.8500 2.8501 -.0001 -1 2 0
2.8200 2.8196 .0004 -1 -1 2
A= 6.44715 DA= .00008
B= 7.10338 DB= .00008
C= 7.36015 DC= .00003
GAMMA= 79.6337 DGAMMA= .0006
BETA = 82.9117 DBETA = .0002
ALPHA= 86.6549 DALPHA= .0002
V=328.8
6. 39-0600
CoMgBr4*6H2O
Triklin
Dexp Dcal d(D) h k l
7.4510 7.4519 -.0009 0 1 1
5.2590 5.2455 .0135 0 -1 1
4.4710 4.4691 .0019 1 1 0
4.1850 4.1857 -.0007 1 0 1
4.0400 4.0399 .0001 0 1 2
3.6360 3.6267 .0093 1 2 1
3.4870 3.4903 -.0033 -1 2 1
3.0700 3.0686 .0014 -1 1 2
3.0320 3.0345 -.0025 1 2 2
2.9600 2.9607 -.0007 -1 0 2
2.8620 2.8611 .0009 -1 3 1
2.8140 2.8155 -.0015 1 3 0
A= 4.936 DA= .007
B= 10.85 DB= .01
C= 8.09 DC= .01
GAMMA= 88.24 DGAMMA= .02
BETA = 87.86 DBETA = .01
ALPHA= 69.34 DALPHA= .03
V=405.3
7. 39-0604
K3Co{H4TeO6}8*2H2O
Triklin
Dexp Dcal d(D) h k l
5.1650 5.1645 .0005 1 0 0
4.8465 4.8469 -.0004 -1 1 1
4.6204 4.6235 -.0031 -1 0 1
4.2965 4.2958 .0007 1 0 1
4.1028 4.1032 -.0004 0 2 0
3.5520 3.5533 -.0013 -1 2 2
3.4892 3.4911 -.0019 -1 0 2
3.2215 3.2189 .0026 0 -2 1
3.1056 3.1088 -.0032 1 2 1
2.9502 2.9492 .0010 -1 1 3
2.6421 2.6416 .0005 -1 0 3
2.4512 2.4502 .0010 1 2 3
1.9601 1.9605 -.0004 1 0 4
1.6542 1.6542 -.0000 -3 3 2
A= 5.2962 DA= .0002
B= 9.31 DB= .01
C= 9.88 DC= .02
GAMMA=101.888 DGAMMA= .009
BETA = 99.59 DBETA = .03
ALPHA= 63.05 DALPHA= .09
V= 423.3
8. 39-0621
RbCoF4*2H2O
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
4.1700 4.1612 .0088 0 0 1
3.5800 3.5777 .0023 1 1 1
3.4500 3.4538 -.0038 2 0 1
3.2100 3.1995 .0105 2 1 1
2.9600 2.9605 -.0005 3 2 0
2.9100 2.9089 .0011 4 1 0
2.6800 2.6798 .0002 2 2 1
2.0900 2.0896 .0004 4 3 0
2.0200 2.0209 -.0009 0 1 2
1.8700 1.8701 -.0001 1 4 1
1.7200 1.7198 .0002 3 4 1
1.4800 1.4802 -.0002 6 4 0
a=12.384 b= 8.496 c= 4.161
da= .008 db= .003 dc= .004
V= 437.8
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.1700 4.1732 -.0032 2 1 0
3.5800 3.5824 -.0024 1 1 2
3.4500 3.4492 .0008 -1 0 2
3.2100 3.2079 .0021 -1 1 2
2.9600 2.9592 .0008 3 1 1
2.9100 2.9104 -.0004 0 3 0
2.6800 2.6804 -.0004 1 0 3
2.0900 2.0904 -.0004 -2 1 3
2.0200 2.0193 .0007 1 0 4
2.0200 2.0204 -.0004 -2 3 2
1.8700 1.8695 .0005 -1 3 3
1.7200 1.7200 -.0000 -3 2 3
1.4800 1.4800 .0000 -6 1 1
a= 9.663 b= 8.731 c=8.080 beta= 79.52
da=.007 db=.009 dc=.002 dbeta=.08
V= 670.4
Triklin
Dexp Dcal d(D) h k l
4.1700 4.1696 .0004 0 1 1
3.5800 3.5799 .0001 1 1 1
3.4500 3.4501 -.0001 1 1 0
3.2100 3.2095 .0005 2 0 0
2.9600 2.9593 .0007 2 0 2
2.9100 2.9099 .0001 -1 0 2
2.6800 2.6797 .0003 -1 1 2
2.0900 2.0900 .0000 1 2 1
2.0200 2.0195 .0005 1 2 0
1.8700 1.8700 -.0000 -2 2 1
1.7200 1.7200 -.0000 3 0 4
1.4800 1.4800 -.0000 -4 0 1
A= 6.782 DA= .003
B= 4.524 DB= .001
C= 8.147 DC= .004
GAMMA= 94.54 DGAMMA= .04
BETA = 72.62 DBETA = .04
ALPHA= 81.82 DALPHA= .03
V= 234.1
9. 39-0647
K2CoF4*2H2O
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
6.5200 6.5194 .0006 1 0 0
2.9600 2.9598 .0002 1 0 1
2.8700 2.8662 .0038 2 1 0
2.1700 2.1701 -.0001 2 1 1
1.7400 1.7408 -.0008 3 1 1
1.6300 1.6298 .0002 4 0 0
1.4800 1.4799 .0001 2 0 2
a= 6.5194 b= 6.02 c= 3.3218
da= .0002 db= .01 dc= .0002
v= 130.3
10. 39-0931
CoSbSe
Triklin
Dexp Dcal d(D) h k l
3.9000 3.8985 .0015 -1 0 1
3.1290 3.1281 .0009 -1 -2 1
2.9780 2.9773 .0007 -2 -1 1
2.6733 2.6716 .0017 1 -3 1
2.5690 2.5680 .0010 -3 1 1
2.4000 2.4041 -.0041 0 -4 1
2.3400 2.3376 .0024 2 -3 1
2.1880 2.1875 .0005 -3 -2 1
2.1190 2.1187 .0003 2 -4 1
1.9680 1.9675 .0005 2 5 0
1.8710 1.8695 .0015 -4 4 1
1.8400 1.8403 -.0003 1 1 2
A= 8.698 DA= .002
B= 12.62 DB= .01
C= 4.0752 DC= .0002
GAMMA=101.72 DGAMMA= .02
BETA =101.417 DBETA = .006
ALPHA= 85.86 DALPHA= .03
V=429.6
11. 39-1515
C18H16CoN2O6*9H2O
Triklin
Dexp Dcal d(D) h k l
6.8018 6.7826 .0192 0 1 1
6.0669 6.0762 -.0093 1 1 0
5.6802 5.6776 .0026 1 0 1
5.2771 5.2742 .0029 -1 1 0
4.9279 4.9276 .0003 -1 0 1
4.4394 4.4262 .0132 -1 -1 1
4.0767 4.0734 .0033 0 0 2
3.7855 3.7913 -.0058 1 1 2
3.4930 3.4950 -.0020 -1 -2 1
3.2549 3.2560 -.0011 0 3 0
3.1856 3.1821 .0035 -1 1 2
3.0781 3.0769 .0012 2 2 1
A= 7.0747 DA= .0001
B= 10.0365 DB= .0001
C= 8.36258 DC= .00004
GAMMA= 79.9474 DGAMMA= .0005
BETA = 80.2667 DBETA = .0007
ALPHA= 79.830 DALPHA= .001
V=569.7
12. 39-1694
C8H16CoN10O6S4
Triklin
Dexp Dcal d(D) h k l
6.9751 6.9626 .0125 -1 0 1
6.3203 6.3130 .0073 0 1 0
5.3679 5.3803 -.0124 1 0 1
5.0691 5.0634 .0057 -1 1 1
4.9898 4.9730 .0168 1 -1 1
4.4711 4.4599 .0112 -1 0 2
4.0844 4.0885 -.0041 -2 0 1
4.0223 4.0311 -.0088 2 0 0
3.6331 3.6313 .0018 -1 -1 2
3.4820 3.4813 .0007 -2 0 2
3.3285 3.3364 -.0079 -1 2 0
3.0516 3.0491 .0025 -1 2 1
A= 8.735 DA= .002
B= 6.7233 DB= .0003
C= 9.411 DC= .001
GAMMA=107.399 DGAMMA= .003
BETA =102.132 DBETA = .001
ALPHA= 95.96 DALPHA= .02
V=508.1
13. 39-1743
C21H14Co3O10*6H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
13.0100 12.7867 .2233 1 0 0
7.4700 7.4866 -.0166 0 1 0
6.4360 6.4607 -.0247 1 1 0
5.2330 5.2109 .0221 -2 0 1
4.8680 4.8618 .0062 2 1 0
4.5400 4.5556 -.0156 -1 0 2
4.0550 4.0454 .0096 1 1 2
3.7040 3.7040 -.0000 3 1 0
3.5570 3.5556 .0014 3 1 1
3.1980 3.1967 .0013 4 0 0
3.0020 3.0019 .0001 0 2 2
2.9380 2.9399 -.0019 4 1 0
2.8720 2.8752 -.0032 -2 0 3
a= 12.83 b=.007 c= 10.08 beta= 85.5
da=.04 db=.005 dc=.04 dbeta=.3
V= 965
Triklin
Dexp Dcal d(D) h k l
13.0100 13.0065 .0035 1 0 0
7.4700 7.4642 .0058 -1 1 0
6.4360 6.4429 -.0069 0 1 1
5.2330 5.2334 -.0004 2 1 0
4.8680 4.8668 .0012 2 0 1
4.5400 4.5461 -.0061 2 1 1
4.0550 4.0540 .0010 1 2 1
3.7040 3.7058 -.0018 0 1 2
3.5570 3.5555 .0015 1 1 2
3.1980 3.1985 -.0005 2 0 2
3.0020 3.0039 -.0019 0 3 0
2.9380 2.9373 .0007 -1 3 0
A= 13.008 DA= .002
B= 9.244 DB= .005
C= 7.545 DC= .002
GAMMA= 90.990 DGAMMA= .02
BETA = 90.357 DBETA = .006
ALPHA= 77.17 DALPHA= .02
V= 884.5
14. 39-1745
C21H14Co3O10
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.9800 12.9944 -.0144 0 0 1
7.4210 7.4248 -.0038 1 1 0
5.2430 5.2369 .0061 0 2 1
4.8760 4.8785 -.0025 2 0 0
4.5370 4.5408 -.0038 2 1 1
4.1620 4.1645 -.0025 1 2 2
4.0550 4.0546 .0004 1 1 3
3.7330 3.7317 .0013 -1 2 2
3.5570 3.5529 .0041 1 3 0
3.2010 3.2028 -.0018 3 1 1
2.9980 3.0005 -.0025 -3 0 1
2.9400 2.9361 .0039 3 0 3
a= 10.012 b= 11.44 c= 13.33 beta= 77.03
da=.001 db= .01 dc=.004 dbeta=.04
V= 1489
15. 39-1901
C20H18CoN4O5W*H2O
Triklin
Dexp Dcal d(D) h k l
11.1910 11.1417 .0493 1 0 0
9.7177 9.7501 -.0324 0 1 0
8.3457 8.3407 .0050 0 0 1
7.5634 7.5678 -.0044 1 0 1
6.6569 6.6596 -.0027 1 -1 1
6.3256 6.3204 .0052 -1 -1 1
6.0259 6.0413 -.0154 -1 0 1
5.4712 5.4708 .0004 1 1 1
4.8742 4.8751 -.0009 0 2 0
4.4394 4.4366 .0028 -1 1 1
3.9864 3.9860 .0004 0 -2 2
A= 11.55 DA= .02
B= 10.594 DB= .002
C= 9.122 DC= .003
GAMMA= 82.597 DGAMMA= .005
BETA = 80.15 DBETA = .06
ALPHA=109.99 DALPHA= .01
V=1014
16. 39-1917
C13H16CoCl2N2S2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.2500 5.2531 -.0031 1 1 0
4.7300 4.7296 .0004 1 1 1
4.5100 4.5067 .0033 -1 0 2
4.1200 4.1203 -.0003 2 0 1
3.4500 3.4464 .0036 -2 1 1
3.1200 3.1162 .0038 0 2 1
2.6500 2.6488 .0012 0 0 4
2.5400 2.5421 -.0021 -2 2 1
2.3800 2.3818 -.0018 -3 1 2
2.2900 2.2901 -.0001 3 0 3
2.1600 2.1607 -.0007 -4 0 1
2.1000 2.0987 .0013 4 1 0
2.0600 2.0601 -.0001 4 0 2
a= 8.868 b= 6.521 c= 10.597 beta=88.80
da=.005 db=.005 dc=.003 dbeta=.03
V= 612
Triklin
Dexp Dcal d(D) h k l
5.2500 5.2620 -.0120 0 1 1
4.7300 4.7357 -.0057 1 0 0
4.5100 4.5045 .0055 0 -1 1
4.1200 4.1191 .0009 -1 1 0
3.4500 3.4469 .0031 1 0 2
3.1200 3.1200 -.0000 0 2 0
2.6500 2.6506 -.0006 -1 1 2
2.5400 2.5399 .0001 1 0 3
2.3800 2.3804 -.0004 2 -1 1
2.2900 2.2908 -.0008 1 -2 2
2.1600 2.1596 .0004 -1 -2 1
2.1000 2.1002 -.0002 2 1 0
2.0600 2.0595 .0005 -2 2 0
A= 4.9463 DA= .0005
B= 6.375 DB= .001
C= 7.993 DC= .002
GAMMA= 97.64 DGAMMA= .01
BETA = 76.20528 DBETA = .00002
ALPHA= 83.12 DALPHA= .01
V= 239.6
17. 39-1918
C13H16Br2CoN2S2
Triklin
Dexp Dcal d(D) h k l
9.8100 9.7911 .0189 1 0 0
8.5000 8.5049 -.0049 0 1 0
7.2300 7.2415 -.0115 0 1 1
6.7200 6.7254 -.0054 1 1 1
4.7600 4.7672 -.0072 1 2 1
4.6600 4.6620 -.0020 2 1 1
4.3400 4.3590 -.0190 -2 0 1
4.1800 4.1765 .0035 -2 -1 1
4.0800 4.0809 -.0009 1 1 2
3.6400 3.6375 .0025 -2 1 1
3.3400 3.3393 .0007 -2 -2 1
3.1900 3.1894 .0006 2 3 1
A= 10.694 DA= .003
B= 9.859 DB= .002
C= 8.639 DC= .003
GAMMA= 66.79 DGAMMA= .01
BETA = 86.61 DBETA = .01
ALPHA= 70.15 DALPHA= .02
V= 784.4
18. 39-1928
C42H42CoN2O9S3
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
13.0400 13.2116 -.1716 1 0 0
6.5700 6.6058 -.0358 2 0 0
4.4000 4.4039 -.0039 3 0 0
4.2100 4.2069 .0031 1 1 0
3.9500 3.9556 -.0056 0 0 2
3.4000 3.3937 .0063 2 0 2
3.3400 3.3395 .0005 2 1 1
2.8800 2.8818 -.0018 1 1 2
2.6500 2.6496 .0004 4 1 0
a=13.2116 b= 4.438 c= 7.91
da= .0009 db= .002 dc= .01
V= 463.8
19. 39-1942
C6H18Cl3CoN4*1.5H2O
Triklin
Dexp Dcal d(D) h k l
7.3300 7.3309 -.0009 0 1 1
6.6100 6.6145 -.0045 1 0 0
5.6800 5.6713 .0087 0 -1 1
5.1900 5.1805 .0095 0 0 2
4.7600 4.7572 .0028 -1 -1 1
4.1200 4.1181 .0019 0 2 1
3.7000 3.7007 -.0007 -1 1 2
3.4500 3.4517 -.0017 0 -2 1
3.1400 3.1398 .0002 -1 2 1
2.9100 2.9099 .0001 0 -1 3
2.7600 2.7602 -.0002 -1 -1 3
2.5600 2.5603 -.0003 1 1 4
2.3900 2.3899 .0001 2 0 3
A= 6.8683 DA= .0001
B= 8.627 DB= .004
C= 10.757 DC= .001
GAMMA= 74.38 DGAMMA= .01
BETA = 85.797 DBETA = .008
ALPHA= 74.403 DALPHA= .003
V= 591.2
20. 39-1943
C16H18Cl3CoN4*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.6700 6.6882 -.0182 1 0 1
6.2300 6.2347 -.0047 1 1 0
5.4500 5.4560 -.0060 -1 0 1
3.6600 3.6595 .0005 -1 0 2
3.4200 3.4186 .0014 0 2 2
3.1200 3.1174 .0026 2 2 0
2.8900 2.8899 .0001 -1 3 1
2.5400 2.5403 -.0003 3 1 0
2.4300 2.4304 -.0004 1 4 0
2.2800 2.2800 .0000 1 1 4
2.1600 2.1603 -.0003 -2 1 3
a= 8.0356 b= 10.222 c= 9.39 beta=78.26
da=.0001 db=.009 dc=.01 dbeta=.06
V= 755
21. 39-1944
C6H18Cl3Co*H2O
Triklin
Dexp Dcal d(D) h k l
9.2900 9.2895 .0005 1 0 0
8.0200 8.0347 -.0147 0 1 0
7.1700 7.1702 -.0002 -1 0 1
5.9800 5.9797 .0003 0 0 2
5.3900 5.3923 -.0023 -1 1 1
4.9300 4.9208 .0092 -1 0 2
4.2200 4.2173 .0027 -1 1 2
3.9800 3.9864 -.0064 0 0 3
3.8300 3.8304 -.0004 2 1 1
3.1800 3.1823 -.0023 1 -2 2
2.9400 2.9400 .0000 2 2 1
2.8700 2.8701 -.0001 3 1 0
A= 9.302 DA= .002
B= 8.036 DB= .005
C= 11.973 DC= .006
GAMMA= 91.158 DGAMMA= .001
BETA = 87.23 DBETA = .04
ALPHA= 90.030 DALPHA= .007
V= 893.85
22. 39-1945
C6H18Cl3CoN4*0.5Hcl*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.3100 9.4967 -.1867 0 0 1
8.0600 8.1262 -.0662 1 1 0
7.1400 7.1462 -.0062 0 1 1
5.4000 5.3922 .0078 -2 0 1
4.9400 4.9396 .0004 2 0 1
5.4000 5.3922 .0078 -2 0 1
4.9400 4.9396 .0004 2 0 1
4.2000 4.2182 -.0182 -1 1 2
3.9900 3.9907 -.0007 1 1 2
3.8300 3.8252 .0048 3 1 0
3.1900 3.1889 .0011 -2 2 2
3.0400 3.0389 .0011 0 1 3
a= 12.320 b=10.851 c= 9.541 beta= 95.50
da=.002 db=.002 dc=.003 dbeta=.01
V= 1269
Dexp Dcal d(D) h k l
9.3100 9.3093 .0007 1 0 0
8.0600 8.0666 -.0066 0 1 0
7.1400 7.1348 .0052 -1 0 1
5.4000 5.4060 -.0060 -1 -1 1
4.9400 4.9413 -.0013 0 0 2
5.4000 5.4060 -.0060 -1 -1 1
4.9400 4.9413 -.0013 0 0 2
4.2000 4.1973 .0027 1 0 2
3.9900 3.9899 .0001 -1 1 2
3.8300 3.8270 .0030 1 2 0
3.1900 3.1918 -.0018 2 2 0
3.0400 3.0409 -.0009 -1 2 2
A= 9.387 DA= .002
B= 8.111 DB= .005
C= 9.945 DC= .006
GAMMA= 85.23 DGAMMA= .04
BETA = 95.35 DBETA = .05
ALPHA= 86.89 DALPHA= .04
V= 749.8
23. 39-1946
C6H18Cl3CoN4
Triklin
Dexp Dcal d(D) h k l
8.8700 8.8516 .0184 0 1 1
6.8200 6.8153 .0047 0 -1 1
6.2800 6.2782 .0018 1 0 0
5.8800 5.8800 .0000 -1 0 1
5.5000 5.4959 .0041 1 1 0
3.7000 3.7008 -.0008 -1 -2 1
3.4600 3.4627 -.0027 0 3 1
3.1400 3.1409 -.0009 -2 0 1
3.0100 3.0098 .0002 1 2 3
2.9100 2.9105 -.0005 1 3 2
2.8100 2.8102 -.0002 1 -1 3
2.6900 2.6898 .0002 2 2 1
A= 6.341 DA= .001
B= 10.398 DB= .003
C= 12.275 DC= .002
GAMMA= 87.98 DGAMMA= .01
BETA = 97.020 DBETA = .005
ALPHA= 75.383 DALPHA= .004
V= 775.4
24. 39-1947
C6H18Cl3CoN4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.6900 6.6900 .0000 0 1 1
6.2500 6.2601 -.0101 1 1 0
5.4800 5.4771 .0029 -1 1 1
3.6800 3.6760 .0040 -1 1 2
3.4400 3.4438 -.0038 2 1 0
3.1400 3.1423 -.0023 -2 2 1
3.0000 3.0001 -.0001 0 4 1
2.9000 2.8993 .0007 0 3 2
2.6800 2.6792 .0008 1 4 1
2.5500 2.5503 -.0003 0 1 3
2.4500 2.4470 .0030 -3 0 1
2.2900 2.2901 -.0001 -3 2 1
2.1600 2.1611 -.0011 -3 2 2
2.1100 2.1102 -.0002 3 1 1
a= 7.358 b= 13.00 c=8.037 beta= 103.87
da=.004 db=.01 dc=.003 dbeta=.05
V= 746.3
Triklin
Dexp Dcal d(D) h k l
6.6900 6.6869 .0031 1 0 0
6.2500 6.2394 .0106 0 1 0
5.4800 5.4823 -.0023 -1 1 1
3.6800 3.6759 .0041 1 1 1
3.4400 3.4400 -.0000 0 2 1
3.1400 3.1453 -.0053 -2 1 0
3.0000 3.0008 -.0008 -1 2 0
2.9000 2.8968 .0032 -2 2 1
2.6800 2.6806 -.0006 1 2 0
2.5500 2.5500 -.0000 -2 0 2
2.4500 2.4491 .0009 1 0 2
2.2900 2.2901 -.0001 -3 0 1
2.1600 2.1600 .0000 -2 1 3
2.1100 2.1104 -.0004 0 2 3
A= 7.255 DA= .001
B= 7.253 DB= .003
C= 6.943 DC= .001
GAMMA=107.35 DGAMMA= .03
BETA =111.29 DBETA = .05
ALPHA= 60.419 DALPHA= .003
V= 292.8