1. 18-0090
{NH4}2Cu{SO4}2
Triklin
Dexp Dcal d(D) h k l
7.9600 7.9802 -.0202 0 1 1
6.6300 6.6463 -.0163 0 -1 1
6.2300 6.2278 .0022 -1 -1 1
6.1500 6.1396 .0104 0 2 0
6.0900 6.0986 -.0086 -2 1 0
5.6500 5.6389 .0111 1 -1 1
5.4300 5.4073 .0227 2 1 0
5.2500 5.2585 -.0085 1 2 0
4.4700 4.4707 -.0007 -3 1 1
4.3400 4.3443 -.0043 1 -2 1
4.2500 4.2480 .0020 -2 0 2
4.1600 4.1611 -.0011 2 2 0
A= 13.7292 DA= .0004
B= 12.7862 DB= .0002
C= 9.5537 DC= .0008
GAMMA=101.9960 DGAMMA= .0007
BETA =107.802 DBETA = .002
ALPHA= 76.085 DALPHA= .006
V=1532.2
4. 18-0091
NH4CuS4
Triklin
Dexp Dcal d(D) h k l
8.1900 8.1883 .0017 0 0 1
5.9900 5.9914 -.0014 1 1 0
4.2100 4.2085 .0015 2 0 1
3.6300 3.6274 .0026 1 1 2
3.2700 3.2702 -.0002 -4 1 2
3.0900 3.0910 -.0010 0 -2 1
2.9690 2.9698 -.0008 0 1 3
2.8050 2.8029 .0021 -3 3 1
2.5710 2.5704 .0006 1 3 1
2.3980 2.3963 .0017 0 -2 2
2.3560 2.3557 .0003 -3 3 4
2.1220 2.1215 .0005 -6 1 3
A= 13.6265 DA= .0006
B= 9.280 DB= .002
C= 10.00 DC= .01
GAMMA=112.935 DGAMMA= .004
BETA =116.87 DBETA = .02
ALPHA= 59.85 DALPHA= .04
V= 953.65
5. 18-0439
CuCl2*3Cu{OH}2
Triklin
Dexp Dcal d(D) h k l
5.4600 5.4950 -.0350 1 0 0
5.0500 5.0507 -.0007 0 -1 1
4.7000 4.6926 .0074 -1 1 1
4.5400 4.5421 -.0021 1 -1 1
3.4200 3.4240 -.0040 1 -1 2
3.0100 3.0096 .0004 1 -2 1
2.8970 2.8960 .0010 1 1 1
2.8420 2.8401 .0019 2 -1 1
2.7780 2.7762 .0018 0 2 0
2.7620 2.7611 .0009 -2 0 1
2.7460 2.7475 -.0015 2 0 0
2.7200 2.7207 -.0007 -2 1 2
2.3460 2.3463 -.0003 -2 2 2
A= 6.247 DA= .002
B= 6.2767 DB= .0005
C= 9.364 DC= .008
GAMMA=116.891 DGAMMA= .003
BETA = 96.9424 DBETA = .0004
ALPHA= 93.38 DALPHA= .01
V= 322.4
6. 18-0462
CuSO4*Ti{SO4}2
Triklin
Dexp Dcal d(D) h k l
5.5000 5.4866 .0134 0 0 2
4.8000 4.7939 .0061 -1 1 0
4.1000 4.1013 -.0013 2 0 0
3.7500 3.7417 .0083 1 1 1
3.4000 3.4068 -.0068 -1 1 2
3.1000 3.0991 .0009 1 -1 3
3.0000 3.0026 -.0026 2 0 3
2.6000 2.5991 .0009 3 -1 2
2.5500 2.5507 -.0007 -3 0 1
2.4500 2.4503 -.0003 0 -2 1
2.2500 2.2506 -.0006 1 2 0
2.0000 1.9998 .0002 3 1 3
A= 8.582 DA= .005
B= 5.1534 DB= .0006
C= 11.1688 DC= .0009
GAMMA=103.901 DGAMMA= .006
BETA = 79.34 DBETA = .03
ALPHA= 93.805 DALPHA= .00102
V=471.2
7. 18-0713
{CuNa2K2}Si3O7
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.7300 6.7013 .0287 1 1 0
6.0800 6.0873 -.0073 -1 0 1
5.1600 5.1514 .0086 -1 1 1
4.3100 4.2892 .0208 1 2 0
4.1000 4.1025 -.0025 -2 0 1
3.8200 3.8191 .0009 2 0 1
3.6600 3.6675 -.0075 1 2 1
3.3600 3.3614 -.0014 -1 1 2
3.2200 3.2230 -.0030 0 3 0
3.0400 3.0436 -.0036 -2 0 2
2.9600 2.9621 -.0021 0 3 1
2.8200 2.8207 -.0007 -3 1 1
a= 9.326 b= 9.669 c= 7.540 beta= 94.57
da=.005 db.005 dc= .009 dbeta=.05
V= 678
Triklin
Dexp Dcal d(D) h k l
6.7300 6.7210 .0090 1 0 0
6.0800 6.0836 -.0036 -1 1 0
5.1600 5.1624 -.0024 0 1 1
4.3100 4.3111 -.0011 1 1 1
4.1000 4.0979 .0021 1 1 0
3.8200 3.8203 -.0003 2 0 1
3.6600 3.6586 .0014 1 0 2
3.3600 3.3605 -.0005 2 0 0
3.2200 3.2196 .0004 1 1 2
3.0400 3.0418 -.0018 -2 2 0
2.9600 2.9570 .0030 2 1 1
2.8200 2.8207 -.0007 1 2 1
A= 8.1319 DA= .0009
B= 7.42115 DB= .00006
C= 7.317 DC= .005
GAMMA=109.82 DGAMMA= .05
BETA = 63.116 DBETA = .001
ALPHA= 90.47 DALPHA= .07
V= 364.96
8. 18-1008
K2Cu{SO4}2*2H2O
Triklin
Dexp Dcal d(D) h k l
7.7200 7.6748 .0452 -1 0 1
6.1200 6.1001 .0199 1 1 0
5.9800 5.9883 -.0083 0 -1 1
5.3600 5.3675 -.0075 0 1 1
5.1500 5.1415 .0085 1 0 1
4.6700 4.6669 .0031 -1 0 2
4.3700 4.3650 .0050 0 0 2
4.1800 4.1839 -.0039 2 0 0
3.9500 3.9487 .0013 2 1 0
3.8300 3.8374 -.0074 -2 0 2
3.7100 3.7086 .0014 0 2 0
A= 9.309 DA= .007
B= 7.68 DB= .01
C= 9.624 DC= .002
GAMMA= 76.45 DGAMMA= .05
BETA =114.12 DBETA = .06
ALPHA=101.18 DALPHA= .07
V=607.2
9. 18-1009
KCuS4
Triklin
Dexp Dcal d(D) h k l
8.1200 8.1150 .0050 -1 1 0
5.7900 5.7914 -.0014 1 1 0
5.0700 5.0640 .0060 0 1 1
4.1700 4.1686 .0014 0 2 0
3.8200 3.8132 .0068 2 -1 1
3.2500 3.2555 -.0055 3 0 1
3.1200 3.1185 .0015 1 -2 1
2.9310 2.9293 .0017 -2 -1 1
2.7880 2.7859 .0021 -4 2 0
2.5430 2.5416 .0014 2 0 2
2.3680 2.3699 -.0019 1 -3 1
A= 11.822 DA= .001
B= 9.049 DB= .005
C= 5.494 DC= .001
GAMMA=108.56 DGAMMA= .05
BETA = 86.42 DBETA = .03
ALPHA= 78.29 DALPHA= .07
V= 540.4
10. 18-1108
RbCuSO4
Triklin
Dexp Dcal d(D) h k l
8.5900 8.5896 .0004 1 0 0
5.7900 5.7883 .0017 1 1 0
4.3700 4.3707 -.0007 0 -2 1
3.3500 3.3502 -.0002 1 -2 2
3.2000 3.1993 .0007 0 -2 2
3.0500 3.0485 .0015 2 -2 2
2.8670 2.8670 .0000 3 0 1
2.6980 2.6989 -.0009 1 3 0
2.4620 2.4620 .0000 1 -1 3
2.1860 2.1859 .0001 4 0 1
2.1610 2.1609 .0001 2 2 2
2.0670 2.0672 -.0002 0 1 3
A= 9.018 DA= .003
B= 9.5986 DB= .0007
C= 7.4105 DC= .0006
GAMMA=102.90 DGAMMA= .02
BETA = 74.348 DBETA = .005
ALPHA=109.45 DALPHA= .02
V= 576.1
11. 18-1509
C12H22CuN2O4
Triklin
Dexp Dcal d(D) h k l
7.4100 7.4139 -.0039 0 0 2
6.9500 6.9340 .0160 0 1 0
6.5400 6.5624 -.0224 0 1 1
6.0300 6.0332 -.0032 0 -1 1
5.8200 5.8223 -.0023 1 0 0
5.4700 5.4486 .0214 -1 1 0
5.2900 5.2755 .0145 1 0 1
4.8700 4.8655 .0045 1 -1 1
4.2500 4.2503 -.0003 0 1 3
3.9900 3.9971 -.0071 -1 1 3
3.9200 3.9289 -.0089 -1 0 3
3.7100 3.7070 .0030 0 0 4
A= 6.2297 DA= .0001
B= 7.43929 DB= .00001
C= 15.0370 DC= .0001
GAMMA=110.340 DGAMMA= .006
BETA = 97.243 DBETA = .002
ALPHA= 81.6441 DALPHA= .0005
V=643.4
12. 18-1570
C10H12Cl2CuO4
Triklin
Dexp Dcal d(D) h k l
8.5600 8.5490 .0110 1 0 0
7.0100 7.0176 -.0076 -1 1 0
5.7200 5.7294 -.0094 0 0 1
4.0500 4.0476 .0024 0 -2 1
3.7400 3.7386 .0014 2 0 1
3.5900 3.5937 -.0037 0 3 0
3.5100 3.5088 .0012 -2 2 0
3.4200 3.4198 .0002 -1 -2 1
3.2600 3.2582 .0018 2 -2 1
3.1800 3.1807 -.0007 -2 0 1
3.1300 3.1291 .0009 0 -3 1
2.8500 2.8497 .0003 3 0 0
A= 8.7171 DA= .0002
B= 10.86 DB= .01
C= 5.828 DC= .002
GAMMA= 95.91 DGAMMA= .05
BETA = 80.010 DBETA = .002
ALPHA= 94.36 DALPHA= .02
V= 539.4
Triklin
Dexp Dcal d(D) h k l
8.5600 8.5512 .0088 -1 1 0
7.0100 7.0079 .0021 1 1 0
5.7200 5.7293 -.0093 0 0 1
4.0500 4.0469 .0031 2 0 1
3.7400 3.7443 -.0043 3 1 0
3.5900 3.5868 .0032 -3 1 1
3.5100 3.5039 .0061 2 2 0
3.4200 3.4152 .0048 3 -1 1
3.2600 3.2658 -.0058 0 2 1
3.1800 3.1804 -.0004 -1 3 0
3.1300 3.1294 .0006 -4 0 1
2.8500 2.8504 -.0004 -3 3 0
A= 13.847 DA= .001
B= 9.751 DB= .003
C= 5.9328 DC= .0006
GAMMA=100.326 DGAMMA= .007
BETA = 96.899 DBETA = .002
ALPHA=101.84 DALPHA= .01
V= 761.06
13. 18-1587
C4H12O2S2*CuBr2
Triklin
Dexp Dcal d(D) h k l
8.5100 8.5106 -.0006 1 0 0
7.3400 7.3450 -.0050 0 1 0
6.7800 6.7759 .0041 0 0 1
5.9500 5.9473 .0027 -1 0 1
5.2800 5.2825 -.0025 -1 -1 1
4.8300 4.8279 .0021 1 0 1
4.4600 4.4617 -.0017 1 1 1
4.1600 4.1602 -.0002 -1 1 1
3.9000 3.8992 .0008 1 2 0
3.7100 3.7103 -.0003 1 -1 1
A= 9.3089 DA= .0008
B= 7.85329 DB= .001
C= 6.95221 DC= .004
GAMMA= 69.28 DGAMMA= .02
BETA =102.9386 DBETA = .0008
ALPHA= 94.398 DALPHA= .004
V= 463.3
14. 18-1588
C4H12O2S2*CuCl2
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
8.2100 8.2360 -.0260 1 0 0
5.7100 5.7257 -.0157 0 2 0
5.7100 5.7336 -.0236 1 0 2
5.1400 5.1269 .0131 1 1 2
4.6500 4.6534 -.0034 0 2 2
4.4700 4.4715 -.0015 1 0 3
4.0500 4.0515 -.0015 1 2 2
3.8200 3.8171 .0029 0 3 0
3.6600 3.6601 -.0001 2 0 2
a= 8.236 b=11.451 c=15.974
da= .002 db= .001 dc= .002
V=1506.5
15. 18-1589
C16H44N4*2CuCl
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.4900 7.5028 -.0128 0 0 1
6.5800 6.5704 .0096 1 1 0
3.7900 3.7908 -.0008 2 1 0
3.7500 3.7514 -.0014 0 0 2
3.5600 3.5636 -.0036 0 1 2
3.2300 3.2280 .0020 -2 0 2
2.9800 2.9786 .0014 1 1 2
2.7000 2.6994 .0006 -1 3 2
2.4800 2.4804 -.0004 -3 1 2
2.3300 2.3301 -.0001 -2 4 1
a= 8.371 b= 11.4044 c= 7.813 beta= 106.19
da= .002 db=.0006 dc=.005 dbeta=.08
V= 716.2
16. 18-1614
C10H10N2*CuCl2
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
8.5900 8.5884 .0016 1 0 0
7.6800 7.6730 .0070 1 1 0
6.0700 6.0557 .0143 1 2 0
4.7900 4.7973 -.0073 1 1 3
4.1700 4.1646 .0054 2 1 0
3.9300 3.9272 .0028 2 2 1
3.8100 3.8105 -.0005 1 1 4
3.4600 3.4600 .0000 2 2 3
a= 8.851 b= 17.080 c= 15.999 beta= 76.006
da=.004 db=.007 dc=.006 dbet=.009
V=2344
Triklin
Dexp Dcal d(D) h k l
8.5900 8.5888 .0012 1 0 0
7.6800 7.6796 .0004 0 1 0
6.0700 6.0700 .0000 -1 0 1
4.7900 4.7900 .0000 -1 -1 1
4.1700 4.1700 -.0000 0 -2 1
3.9300 3.9300 .0000 2 -1 2
3.8100 3.8100 .0000 -1 -1 2
3.4600 3.4600 .0000 0 1 2
A= 9.46 DA= .03
B= 9.14 DB= .03
C= 10.61 DC= .01
GAMMA=114.2 DGAMMA= .1
BETA = 74.835 DBETA = .007
ALPHA=116.8 DALPHA= .2
V= 743.7
17. 18-1632
C12H34Cl2CuN4
Rombik
Grupa 16
Dexp. Dcal. d(D) h k l
10.2000 10.1218 -.0782 0 0 1
8.8000 8.8200 .0200 0 1 1
7.9200 7.9535 .0335 1 0 0
7.2700 7.2735 .0035 1 1 0
4.5100 4.4946 -.0154 0 4 0
4.1400 4.1542 .0142 1 1 2
3.9100 3.9130 .0030 1 4 0
3.6400 3.6498 .0098 1 4 1
3.6400 3.6368 -.0032 2 2 0
3.4800 3.4774 -.0026 1 3 2
3.2800 3.2764 -.0036 1 5 0
3.0800 3.0806 .0006 2 1 2
2.9800 2.9783 -.0017 2 4 0
a= 7.95 b= 17.98 c= 10.12
da=.01 db= .02 dc=.01
V= 1447
Triklin
Dexp Dcal d(D) h k l
10.2000 10.2013 -.0013 1 0 0
8.8000 8.7894 .0106 0 1 0
7.9200 7.9292 -.0092 0 1 1
7.2700 7.2786 -.0086 -1 0 1
4.5100 4.5111 -.0011 0 2 1
4.1400 4.1390 .0010 0 -1 2
3.9100 3.9110 -.0010 1 2 0
3.6400 3.6393 .0007 -2 0 2
3.4800 3.4782 .0018 1 1 3
3.2800 3.2806 -.0006 3 0 1
3.0800 3.0800 .0000 3 1 0
2.9800 2.9801 -.0001 1 -2 2
A= 10.2437 DA= .0004
B= 9.149 DB= .008
C= 11.21 DC= .02
GAMMA= 94.72 DGAMMA= .01
BETA = 89.096 DBETA = .002
ALPHA= 74.72 DALPHA= .09
V= 1009.6
18. 18-1693
C6H12N4O2*CuCl2
Triklin
Dexp Dcal d(D) h k l
8.6700 8.6633 .0067 -1 1 0
8.3000 8.3085 -.0085 0 1 1
7.6900 7.6843 .0057 0 -1 1
6.9400 6.9413 -.0013 1 -1 1
5.6100 5.6067 .0033 0 1 2
4.6400 4.6320 .0080 2 -1 1
4.4600 4.4589 .0011 2 0 1
4.2800 4.2845 -.0045 -1 2 2
3.9700 3.9663 .0037 1 2 0
3.8700 3.8710 -.0010 1 0 3
3.8100 3.8099 .0001 2 0 2
3.7100 3.7084 .0016 1 -1 3
A= 10.186 DA= .001
B= 10.9876 DB= .0004
C= 12.764 DC= .001
GAMMA=110.72 DGAMMA= .08
BETA = 91.82 DBETA = .01
ALPHA= 85.086 DALPHA= .001
V= 1331.3
19. 18-1714
C4H8CuN2O4
Triklin
Dexp Dcal d(D) h k l
8.4500 8.4441 .0059 0 1 1
7.4200 7.4298 -.0098 -1 0 1
6.7700 6.7592 .0108 0 -1 1
5.7200 5.7137 .0063 -1 2 1
5.4100 5.4065 .0035 -1 -1 1
5.0200 5.0135 .0065 -2 2 1
4.8600 4.8733 -.0133 1 -2 1
4.7100 4.7020 .0080 1 2 1
4.4400 4.4397 .0003 3 -1 1
3.9600 3.9626 -.0026 -2 3 1
3.8700 3.8704 -.0004 1 2 2
3.7600 3.7637 -.0037 2 2 0
A= 14.5557 DA= .0004
B= 12.68191 DB= .00001
C= 10.02737 DC= .00009
GAMMA=110.469 DGAMMA= .001
BETA = 86.330 DBETA = .001
ALPHA= 79.32490 DALPHA= .00002
V=1686.9
20. 18-1803
C26H22CuN4O2
Triklin
Dexp Dcal d(D) h k l
12.6000 12.5738 .0262 0 0 1
10.9000 10.9023 -.0023 1 0 0
8.4800 8.4908 -.0108 0 1 1
5.4400 5.4414 -.0014 -2 -1 1
5.1200 5.1135 .0065 1 1 2
4.9700 4.9658 .0042 2 1 1
4.2500 4.2533 -.0033 2 2 1
4.0500 4.0539 -.0039 1 -1 2
3.7400 3.7416 -.0016 -2 -2 2
3.6700 3.6695 .0005 0 -1 3
3.4600 3.4605 -.0005 -3 0 2
A= 11.783 DA= .003
B= 10.720 DB= .009
C= 12.888 DC= .003
GAMMA= 70.80 DGAMMA= .03
BETA = 99.10 DBETA = .03
ALPHA= 84.75 DALPHA= .01
V= 1499.8
21. 18-1804
C22H22CuO4
Triklin
Dexp Dcal d(D) h k l
6.8500 6.8383 .0117 -1 1 1
5.8500 5.8665 -.0165 0 1 1
5.1600 5.1697 -.0097 0 -1 1
4.3000 4.3009 -.0009 -2 1 0
4.1000 4.0996 .0004 -1 -1 1
3.9700 3.9739 -.0039 -1 2 0
3.8700 3.8666 .0034 0 1 2
3.8000 3.8064 -.0064 1 1 1
3.6100 3.6053 .0047 0 2 0
3.4800 3.4799 .0001 0 2 1
3.4200 3.4191 .0009 -2 2 2
3.2200 3.2197 .0003 2 0 1
A= 9.430 DA= .002
B= 8.3167 DB= .0005
C= 9.254 DC= .003
GAMMA=119.069 DGAMMA= .004
BETA =112.99 DBETA = .01
ALPHA= 73.021 DALPHA= .005
V=579.7
22. 18-1845
C16H26CuO4
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
7.6700 7.6708 -.0008 0 1 0
6.5700 6.5911 -.0211 1 1 0
6.1300 6.1405 -.0105 1 1 1
5.6800 5.6793 .0007 0 1 2
3.7400 3.7402 -.0002 0 2 1
3.6800 3.6760 .0040 1 2 0
3.5600 3.5567 .0033 1 1 4
3.4900 3.4924 -.0024 0 2 2
3.3800 3.3796 .0004 0 0 5
3.0700 3.0703 -.0003 2 2 2
3.0100 3.0098 .0002 4 0 2
2.5800 2.5805 -.0005 2 0 6
a=12.884 b= 7.671 c=16.898
da= .004 db= .001 dc= .009
V=1670
23. 18-1848
C5H7CuNO4*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.5200 8.5179 .0021 1 1 0
6.5800 6.5706 .0094 -1 0 1
6.4000 6.4032 -.0032 2 0 0
5.6900 5.6936 -.0036 -1 1 1
5.5800 5.5836 -.0036 2 1 0
5.4400 5.4392 .0008 1 0 1
5.2200 5.2101 .0099 1 2 0
4.9100 4.9096 .0004 1 1 1
4.7800 4.7770 .0030 -2 1 1
4.3400 4.3386 .0014 0 2 1
4.0400 4.0388 .0012 -3 0 1
3.9200 3.9194 .0006 2 1 1
a= 13.1517 b= 11.407 c= 6.864 beta= 103.15
da= .0005 db=.003 dc= .008 dbeta=.03
V= 1002.7
24. 18-1861
C18H14N2*Cu{NO3)2
Triklin
Dexp Dcal d(D) h k l
9.1200 8.9861 .1339 0 0 1
7.1400 7.1435 -.0035 1 0 0
5.2600 5.2627 -.0026 1 1 1
4.4300 4.4332 -.0032 -1 -1 1
3.9800 3.9814 -.0014 1 -1 1
3.6500 3.6498 .0002 0 1 2
3.2300 3.2298 .0002 2 1 2
2.7000 2.7001 -.0001 0 1 3
2.5500 2.5503 -.0003 -1 0 3
2.4400 2.4401 -.0001 -1 2 1
2.1100 2.1099 .0001 -1 -3 1
2.0000 2.0000 .0000 -2 -3 1
1.9200 1.9199 .0001 -3 0 2
A= 7.761 DA= .001
B= 6.64189 DB= .00004
C= 9.290 DC= .003
GAMMA= 71.59 DGAMMA= .01
BETA = 75.32 DBETA = .01
ALPHA= 85.68 DALPHA= .02
V= 439.5
25.18-1927
C16H40N2*Cu{CNO}4
Triklin
Dexp Dcal d(D) h k l
14.6000 14.6092 -.0092 1 0 0
11.5000 11.4758 .0242 1 -1 0
8.5500 8.5361 .0139 0 1 1
7.3100 7.3058 .0042 0 -1 1
6.3300 6.3203 .0097 -1 2 0
5.8100 5.8116 -.0016 2 -1 1
5.4700 5.4654 .0046 -2 2 1
4.7000 4.7038 -.0038 2 -2 1
4.2700 4.2680 .0020 0 2 2
4.0000 3.9997 .0003 3 1 0
3.7900 3.7915 -.0015 -4 1 1
3.6400 3.6399 .0001 -3 0 2
A= 15.8265 DA= .0005
B= 12.858 DB= .002
C= 10.745 DC= .009
GAMMA=112.55 DGAMMA= .01
BETA = 95.686 DBETA = .007
ALPHA= 79.60 DALPHA= .02
V= 1985.1
26. 18-1934
C20H52N12*Cu{ClO4}2
Triklin
Dexp Dcal d(D) h k l
11.1000 11.0898 .0102 1 0 0
8.4400 8.4426 -.0026 -1 1 0
6.6300 6.5611 .0689 1 1 1
4.7000 4.6981 .0019 2 -1 1
6.0900 6.0926 -.0026 1 -1 1
5.5700 5.5449 .0251 2 0 0
5.1300 5.1313 -.0013 -1 2 0
4.1900 4.1924 -.0024 0 -2 1
3.9800 3.9910 -.0110 -2 2 1
3.6200 3.6226 -.0026 2 2 1
3.3800 3.3818 -.0018 -2 0 2
3.2800 3.2805 -.0005 2 2 2
A= 11.353 DA= .001
B= 11.0016 DB= .0006
C= 9.9956 DC= .0007
GAMMA= 98.644 DGAMMA= .005
BETA = 83.456 DBETA = .001
ALPHA= 76.687 DALPHA= .009
V=1186.4
27. 18-1987
C33H30AsCuS8
Triklin
Dexp Dcal d(D) h k l
9.3100 9.2755 .0345 0 1 1
8.6700 8.6769 -.0069 0 -1 1
7.5700 7.6078 -.0378 -1 -1 1
7.2000 7.1888 .0112 0 0 2
6.7600 6.7739 -.0139 -1 1 0
6.1500 6.1653 -.0153 -1 0 2
5.8700 5.8844 -.0144 1 -1 1
6.2800 6.2861 -.0061 0 1 2
5.0500 5.0517 -.0017 2 0 0
4.7200 4.7201 -.0001 2 1 1
4.6200 4.6194 .0006 2 0 1
4.5300 4.5331 -.0031 0 1 3
A= 10.4865 DA= .0005
B= 11.858 DB= .001
C= 14.468 DC= .002
GAMMA= 75.6160 DGAMMA= .0002
BETA = 95.105 DBETA = .001
ALPHA= 87.494 DALPHA= .002
V=1731.5