1. 19-0218
Ca2CuO3
Triklin
Dexp Dcal d(D) h k l
3.1100 3.1081 .0019 0 0 1
2.7600 2.7619 -.0019 2 0 0
2.5200 2.5205 -.0005 0 -2 1
2.4100 2.4106 -.0006 1 -2 1
2.0300 2.0299 .0001 -2 1 1
1.9500 1.9508 -.0008 -2 -1 1
1.8800 1.8823 -.0023 0 3 1
1.6910 1.6909 .0001 0 -4 1
1.6220 1.6214 .0006 3 -1 1
1.5650 1.5639 .0011 -1 4 1
1.5090 1.5090 .0000 1 -1 2
1.4010 1.4008 .0002 1 5 0
A= 5.6229 DA= .0002
B= 7.76983 DB= .00006
C= 3.1216 DC= .0005
GAMMA=100.775 DGAMMA= .003
BETA = 88.818 DBETA = .003
ALPHA= 95.331 DALPHA= .007
V=133.4
2. 19-0303
Cs3Cu{CN}4
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
4.6700 4.6622 .0078 1 1 1
3.9700 3.9663 .0037 1 2 0
3.6300 3.6156 .0144 2 1 1
3.3100 3.3065 .0035 3 0 0
2.8830 2.8849 -.0019 0 3 0
2.6340 2.6355 -.0015 2 1 2
2.4790 2.4798 -.0008 4 0 0
2.3470 2.3477 -.0007 3 0 2
2.1740 2.1738 .0002 3 3 0
1.8570 1.8572 -.0002 5 1 1
1.6670 1.6669 .0001 0 0 4
a= 9.919 b= 8.6546 c= 6.668
da= .001 db= .0005 dc= .001
V= 572.4
3. 19-0384
Cu2GeS3
Triklin
Dexp Dcal d(D) h k l
3.2600 3.2621 -.0021 -1 3 0
3.1900 3.1909 -.0009 -1 1 1
3.0600 3.0601 -.0001 -2 1 1
2.9760 2.9757 .0003 1 -1 1
2.8580 2.8578 .0002 2 -1 1
2.7490 2.7481 .0009 -4 3 0
2.6470 2.6443 .0027 3 3 0
2.4730 2.4725 .0005 -4 2 1
2.3250 2.3251 -.0001 5 0 1
2.2650 2.2652 -.0002 4 -2 1
2.2210 2.2198 .0012 -4 3 1
2.1670 2.1681 -.0011 -6 1 1
A= 16.876 DA= .001
B= 9.8645 DB= .0001
C= 3.29893 DC= .00001
GAMMA= 98.059 DGAMMA= .003
BETA = 91.634 DBETA = .006
ALPHA= 83.549 DALPHA= .001
V=540.4
4. 19-0385
Cu2GeTe3
Triklin
Dexp Dcal d(D) h k l
3.4000 3.3977 .0023 0 1 2
3.2000 3.2014 -.0014 0 -1 2
2.9470 2.9455 .0015 -1 0 2
2.4830 2.4825 .0005 -1 -2 2
2.3380 2.3361 .0019 -1 2 2
2.2170 2.2159 .0011 2 0 0
2.1420 2.1404 .0016 2 2 0
2.0850 2.0852 -.0002 0 4 0
1.7900 1.7908 -.0008 2 2 2
1.7130 1.7119 .0011 1 -2 3
1.6160 1.6157 .0003 -1 -5 1
1.5670 1.5667 .0003 0 3 4
A= 4.5407 DA= .0004
B= 8.5263 DB= .0002
C= 7.2289 DC= .0003
GAMMA= 78.987 DGAMMA= .002
BETA = 95.3009 DBETA = .0007
ALPHA= 86.427 DALPHA= .001
V=272.6
5. 19-0387
Cu4{OH}6SO4*H2O
Triklin
Dexp Dcal d(D) h k l
6.9500 6.9543 -.0043 0 1 1
5.2600 5.2606 -.0006 0 -1 1
5.1800 5.1786 .0014 -1 0 1
4.8900 4.8896 .0004 1 0 1
4.7000 4.6993 .0007 0 2 0
3.7500 3.7495 .0005 -1 1 2
3.4700 3.4719 -.0019 -1 3 1
3.3300 3.3354 -.0054 2 0 0
3.2300 3.2311 -.0011 0 3 1
2.7010 2.7005 .0005 2 1 1
2.6160 2.6142 .0018 -1 2 3
2.4210 2.4216 -.0006 2 -3 1
A= 7.213 DA= .001
B= 10.562 DB= .001
C= 8.0825 DC= .0007
GAMMA=112.134 DGAMMA= .008
BETA = 99.83 DBETA = .02
ALPHA= 71.471 DALPHA= .006
V= 539.9
6. 19-0405
Cu2SiTe3
Triklin
Dexp Dcal d(D) h k l
3.4000 3.4015 -.0015 0 1 1
3.2400 3.2403 -.0003 -1 0 1
2.9120 2.9129 -.0009 0 -1 1
2.5440 2.5446 -.0006 1 0 1
2.3420 2.3421 -.0001 1 -1 1
2.0780 2.0783 -.0003 -2 -1 1
1.7720 1.7720 .0000 2 1 1
1.7030 1.7032 -.0002 -3 1 1
1.6600 1.6597 .0003 -2 4 1
1.4680 1.4680 -.0000 -1 -4 1
1.4290 1.4287 .0003 2 4 0
1.3520 1.3522 -.0002 1 5 1
1.2420 1.2420 -.0000 1 -5 1
1.1310 1.1310 .0000 -1 -1 3
1.0680 1.0680 .0000 1 2 3
A= 5.212 DA= .001
B= 7.777 DB= .001
C= 3.6637 DC= .0001
GAMMA= 99.466 DGAMMA= .007
BETA =106.38 DBETA = .01
ALPHA= 76.204 DALPHA= .00558
V= 137.6
7. 19-0412
Cu2SnS3
Triklin
Dexp Dcal d(D) h k l
5.4700 5.4673 .0027 0 0 1
4.9200 4.9208 -.0008 -1 2 0
4.2400 4.2233 .0167 1 -2 1
3.1500 3.1509 -.0009 -2 2 0
2.8380 2.8369 .0011 1 -4 1
2.7170 2.7160 .0010 2 2 0
2.6190 2.6232 -.0042 1 1 2
2.2900 2.2916 -.0016 2 1 2
2.1560 2.1562 -.0002 1 5 0
2.1130 2.1115 .0015 3 1 0
2.0580 2.0584 -.0004 -2 4 1
1.9190 1.9175 .0015 2 -5 2
A= 6.9949 DA= .0009
B= 12.404 DB= .001
C= 5.694 DC= .001
GAMMA=101.69 DGAMMA= .06
BETA = 74.469 DBETA = .008
ALPHA= 97.60 DALPHA= .09
V=464.5
8. 19-0414
Cu{NO3}2*6H2O
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
5.6500 5.6348 .0152 0 1 0
5.4000 5.3888 .0112 2 0 1
3.8900 3.8945 -.0045 2 1 1
3.5900 3.5946 -.0046 1 1 2
3.2500 3.2464 .0036 3 0 2
3.1900 3.1948 -.0048 4 0 0
2.6800 2.6783 .0017 4 1 1
2.6300 2.6298 .0002 3 0 3
2.4600 2.4602 -.0002 1 0 4
a=12.7793 b= 5.6348 c=10.028
da= .0006 db= .0006 dc= .002
V= 722.1
19-0415
Cu{NO3}2*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.9100 5.9277 -.0177 1 1 0
5.5400 5.5477 -.0077 -1 0 2
4.7200 4.7155 .0045 0 1 2
4.1000 4.1026 -.0026 0 0 3
4.0500 4.0511 -.0011 -2 1 1
3.6700 3.6694 .0006 0 2 0
3.3800 3.3794 .0006 -2 0 3
3.0700 3.0696 .0004 -2 1 3
3.0100 3.0097 .0003 2 0 3
a= 10.12 b= 7.339 c= 12.39 beta= 96.75
da= .07 db=.006 dc=.03 dbeta=.03
V= 915
9. 19-1067
Rb3Cu{CN}4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.3800 4.3837 -.0037 1 1 0
4.0500 4.0461 .0039 2 0 2
3.7000 3.7043 -.0043 2 1 0
3.3400 3.3442 -.0042 1 1 2
3.0000 2.9995 .0005 4 0 0
2.3960 2.3960 .0000 -3 0 3
2.2380 2.2377 .0003 -1 2 1
2.1200 2.1205 -.0005 2 1 4
2.0120 2.0116 .0004 3 2 1
1.9350 1.9351 -.0001 6 0 2
1.7250 1.7248 .0002 3 1 5
1.6790 1.6789 .0001 -4 1 4
1.6370 1.6370 .0000 0 0 6
1.5630 1.5631 -.0001 -4 2 3
a= 12.086 b= 4.709 c= 9.894 beta= 83.08
da=.006 db=.004 dc=.001 dbeta=.02
V= 559.0
Triklin
Dexp Dcal d(D) h k l
4.3800 4.3786 .0014 0 1 1
4.0500 4.0499 .0001 -1 2 0
3.7000 3.7012 -.0012 0 -1 1
3.3400 3.3367 -.0033 -1 2 1
3.0000 3.0002 -.0002 2 1 0
2.3960 2.3962 -.0002 -2 -1 1
2.2380 2.2380 -.0000 2 2 1
2.1200 2.1196 .0004 -3 0 1
2.0120 2.0124 -.0004 -2 1 2
1.9350 1.9349 .0001 0 3 2
1.7250 1.7251 -.0001 3 0 2
1.6790 1.6790 .0000 4 1 0
1.6370 1.6369 .0001 1 -3 2
1.5630 1.5631 -.0001 -3 5 1
A= 7.713 DA= .003
B= 8.488 DB= .001
C= 4.7139 DC= .0005
GAMMA=107.63 DGAMMA= .08
BETA = 90.51 DBETA = .03
ALPHA= 79.341 DALPHA= .001
V= 288.7
10. 19-1333
TlCu{CN}4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.1200 6.1123 .0077 1 1 0
5.4700 5.4550 .0150 -1 0 2
4.9100 4.9153 -.0053 -2 0 1
4.1200 4.1198 .0002 -2 1 1
3.8300 3.8367 -.0067 2 0 2
3.7200 3.7182 .0018 1 0 3
3.5500 3.5500 .0000 1 2 0
3.4200 3.4207 -.0007 2 1 2
3.2800 3.2775 .0025 3 0 1
3.0600 3.0561 .0039 2 2 0
2.9910 2.9947 -.0037 -2 2 1
2.8790 2.8792 -.0002 -3 1 2
a= 10.43 b= 7.55 c= 12.30 beta=94.0
da= .02 db=.01 dc=.03 dbeta=.1
V= 967
Triklin
Dexp Dcal d(D) h k l
6.1200 6.1193 .0007 0 1 1
5.4700 5.4900 -.0200 1 0 0
4.9100 4.9108 -.0008 0 -1 1
4.1200 4.1221 -.0021 0 0 2
3.8300 3.8281 .0019 1 1 0
3.7200 3.7201 -.0001 -1 0 2
3.5500 3.5512 -.0012 -1 2 0
3.4200 3.4208 -.0008 1 1 1
3.2800 3.2794 .0006 0 -1 2
3.0600 3.0597 .0003 0 2 2
2.9910 2.9908 .0002 1 0 2
2.8790 2.8782 .0008 -2 1 0
A= 6.081 DA= .003
B= 7.948 DB= .001
C= 8.8985 DC= .0005
GAMMA=112.137 DGAMMA= .001
BETA =108.305 DBETA = .003
ALPHA= 71.915 DALPHA= .005
V= 369.1
11. 19-1514
C4H6CuO4*H2O
Triklin
Dexp Dcal d(D) h k l
6.9400 6.9596 -.0196 0 1 1
6.1700 6.1517 .0183 0 -1 1
5.7900 5.7900 .0000 1 0 0
5.3500 5.3578 -.0078 0 2 0
3.5900 3.5904 -.0004 -1 2 1
3.5300 3.5292 .0008 -1 1 2
3.4400 3.4393 .0007 0 3 1
2.5400 2.5398 .0002 0 -3 2
2.3900 2.3902 -.0002 -1 -2 3
2.3300 2.3299 .0001 1 1 3
2.2900 2.2901 -.0001 1 0 3
2.0300 2.0301 -.0001 2 -1 2
1.9700 1.9700 .0000 3 1 0
1.9300 1.9300 .0000 3 0 0
A= 6.02976 DA= .00006
B= 10.982 DB= .004
C= 8.4457 DC= .0007
GAMMA= 79.655 DGAMMA= .002
BETA =101.381 DBETA = .007
ALPHA= 85.004 DALPHA= .008
V= 534.98
12. 19-1570
C8H14CuO4
Triklin
Dexp Dcal d(D) h k l
10.8000 10.7772 .0228 1 0 0
9.0000 8.9975 .0025 0 1 0
8.1000 8.1324 -.0324 -1 0 1
6.1000 6.0941 .0059 1 1 1
5.4200 5.4211 -.0011 2 1 0
5.2500 5.2563 -.0063 -2 -1 1
4.6900 4.6919 -.0019 2 0 1
4.5700 4.5708 -.0008 2 1 1
4.4000 4.3976 .0024 0 -2 1
4.2000 4.2020 -.0020 1 -1 2
4.1000 4.0977 .0023 -2 1 0
4.0100 4.0137 -.0037 -1 1 2
A= 11.451 DA= .005
B= 9.620 DB= .005
C= 11.412 DC= .007
GAMMA= 70.92 DGAMMA= .01
BETA = 98.21 DBETA = .04
ALPHA=100.42 DALPHA= .02
V= 1163.7
13. 19-1571
C4H7CuO2
Triklin
Dexp Dcal d(D) h k l
11.7000 11.6450 .0550 1 0 0
8.5000 8.4967 .0033 0 1 1
7.1000 7.0936 .0064 0 -1 1
6.6000 6.6012 -.0012 0 2 0
5.8200 5.8225 -.0025 2 0 0
4.9900 4.9941 -.0041 0 -2 1
4.7600 4.7604 -.0004 -2 -1 1
4.6800 4.6856 -.0056 -1 1 2
4.4800 4.4800 .0000 1 -2 1
4.2800 4.2790 .0010 2 -1 1
4.0000 4.0017 -.0017 -2 0 2
3.9400 3.9409 -.0009 2 2 1
3.7200 3.7194 .0006 -2 2 2
3.6600 3.6579 .0021 -2 -1 2
3.5800 3.5790 .0010 0 3 2
A= 11.812 DA= .004
B= 13.462 DB= .004
C= 9.79 DC= .01
GAMMA= 92.99 DGAMMA= .01
BETA = 99.58 DBETA = .02
ALPHA= 78.81 DALPHA= .02
V= 1505.5
14. 19-1594
C14H10CuO4
Triklin
Dexp Dcal d(D) h k l
6.8700 6.8638 .0062 0 1 1
5.9100 5.9037 .0063 0 -1 1
4.4400 4.4444 -.0044 1 0 0
4.2600 4.2551 .0049 0 -1 2
3.6800 3.6818 -.0018 1 0 2
3.5400 3.5412 -.0012 1 1 1
3.4400 3.4402 -.0002 0 -2 1
3.2500 3.2535 -.0035 -1 -1 1
3.1500 3.1502 -.0002 -1 2 1
2.9400 2.9431 -.0031 0 2 3
2.8400 2.8392 .0008 0 1 4
2.6800 2.6764 .0036 1 2 1
A= 4.540 DA= .001
B= 7.8241 DB= .0006
C= 11.647 DC= .004
GAMMA=100.53 DGAMMA= .09
BETA = 86.39 DBETA = .08
ALPHA= 81.50 DALPHA= .02
V= 400.5
15. 19-1610
C10H10Br2CuN2
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
8.8900 8.8957 -.0057 0 1 1
7.6200 7.6181 .0019 1 1 1
6.0900 6.0880 .0020 0 2 1
4.8200 4.8207 -.0007 0 3 0
4.0200 4.0191 .0009 -2 1 2
3.9200 3.9202 -.0002 2 3 0
3.7500 3.7504 -.0004 2 3 1
3.4000 3.4000 .0000 -3 0 2
a=13.505 b= 14.462 c= 11.310 beta= 86.002
da=.004 db=.002 dc=.001 dbet=.005
V=2204
16. 19-1611
C30H30Br2CuN6
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
8.3100 8.3375 -.0275 1 0 1
7.4900 7.4905 -.0005 1 1 0
5.5700 5.5726 -.0026 -1 1 1
4.2100 4.2083 .0017 0 3 0
4.1000 4.0984 .0016 1 2 2
3.7100 3.7108 -.0008 -2 1 1
3.1200 3.1210 -.0010 2 3 0
2.9600 2.9600 .0000 2 2 3
a=9.721 b= 12.625 c= 11.260 beta= 73.168
da=.006 db=.002 dc=.001 dbet=.002
V=1325.9
17. 19-1613
C10H8Cl2CuN2
Monoklin
Dexp Dcal d(D) h k l
7.9800 7.9618 .0182 1 0 0
5.6700 5.6694 .0006 1 1 1
4.5400 4.5292 .0108 0 2 0
3.9300 3.9280 .0020 0 2 1
3.6400 3.6445 -.0045 2 1 0
3.2700 3.2703 -.0003 -1 2 1
3.1300 3.1298 .0002 2 2 1
2.6300 2.6299 .0001 0 0 3
2.4700 2.4702 -.0002 1 3 2
2.2900 2.2898 .0002 3 2 0
a= 8.71 b= 9.058 c= 8.63 beta= 66.1
da=.01 db=.007 dc=.01 dbeta=.1
V= 622.5
18. 19-1619
C6H6Br2Cu2N2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.4300 7.4157 .0143 1 1 0
6.5600 6.5536 .0064 -1 1 1
4.5800 4.5796 .0004 0 0 2
3.7400 3.7380 .0020 2 1 1
3.3300 3.3293 .0007 -3 0 2
3.1900 3.1895 .0005 2 2 1
3.0400 3.0400 .0000 1 3 1
2.7010 2.7015 -.0005 1 0 3
2.6590 2.6585 .0005 -4 0 2
2.5750 2.5752 -.0002 1 3 2
2.5360 2.5391 -.0031 -3 3 1
2.3720 2.3707 .0013 -2 4 1
a= 10.98 b= 10.594 c= 9.68 beta= 108.9
da=.01 db= 8.723 dc=.01 dbeta=.1
V= 1065
Triklin
Dexp Dcal d(D) h k l
7.4300 7.4149 .0151 1 0 0
6.5600 6.5610 -.0010 0 1 0
4.5800 4.5765 .0035 0 -1 1
3.7400 3.7417 -.0017 0 0 2
3.3300 3.3292 .0008 1 2 1
3.1900 3.1861 .0039 -1 0 2
3.0400 3.0371 .0029 -2 -1 1
2.7010 2.7011 -.0001 -2 1 1
2.6590 2.6623 -.0033 -1 2 1
2.5750 2.5758 -.0008 2 2 2
2.5360 2.5363 -.0003 3 1 0
2.3720 2.3733 -.0013 -2 -1 2
A= 7.7862 DA= .0008
B= 6.930 DB= .004
C= 7.702 DC= .009
GAMMA= 73.67 DGAMMA= .01
BETA = 80.04 DBETA = .02
ALPHA= 78.28 DALPHA= .04
V= 387.5
19. 19-1620
C6H6Cl2Cu2N2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.8000 7.8043 -.0043 1 1 1
6.9500 6.9495 .0005 2 0 1
6.4500 6.4471 .0029 -1 0 2
4.4500 4.4500 -.0000 3 0 2
3.8700 3.8685 .0015 2 0 4
3.3700 3.3700 -.0000 4 1 1
3.2400 3.2403 -.0003 0 0 5
3.1800 3.1786 .0014 0 3 2
3.1000 3.1003 -.0003 2 2 4
2.9150 2.9154 -.0004 1 3 3
2.5920 2.5919 .0001 0 4 0
2.5590 2.5593 -.0003 0 4 1
a= 14.254 b= 10.3674 c= 16.562 beta=78.008
da=.001 db=.0006 dc=.004 dbeta=.02
V= 2394.3
Triklin
Dexp Dcal d(D) h k l
7.8000 7.7961 .0039 0 1 1
6.9500 6.9575 -.0075 -1 0 1
6.4500 6.4472 .0028 0 -1 1
4.4500 4.4519 -.0019 -1 2 1
3.8700 3.8729 -.0029 -1 -2 1
3.3700 3.3699 .0001 2 1 0
3.2400 3.2431 -.0031 0 1 3
3.1800 3.1802 -.0002 -2 2 1
3.1000 3.1001 -.0001 -1 3 0
2.9150 2.9124 .0026 0 -1 3
2.5920 2.5921 -.0001 -1 -2 3
2.5590 2.5595 -.0005 2 -2 1
A= 7.612 DA= .001
B= 10.4908 DB= .0008
C= 10.4288 DC= .0002
GAMMA= 94.45 DGAMMA= .01
BETA =109.89 DBETA = .05
ALPHA= 78.310 DALPHA= .005
V= 766.8
20. 19-1621
C12H12Cl2Cu2N4
Triklin
Dexp Dcal d(D) h k l
8.8400 8.8387 .0013 1 0 0
7.8500 7.8492 .0008 0 1 0
7.1400 7.1538 -.0138 1 0 1
5.5100 5.5113 -.0013 1 1 0
4.8600 4.8601 -.0001 1 -1 1
4.3100 4.3001 .0099 2 0 1
4.1500 4.1581 -.0081 -1 -1 1
3.9700 3.9687 .0013 -1 2 1
3.7700 3.7812 -.0112 -1 2 0
3.5300 3.5299 .0001 0 1 3
3.4200 3.4198 .0002 1 2 0
3.2200 3.2202 -.0002 0 -2 1
A= 8.9887 DA= .0006
B= 8.5835 DB= .0003
C= 10.6722 DC= .0001
GAMMA= 94.38 DGAMMA= .01
BETA = 82.93 DBETA = .02
ALPHA= 67.359 DALPHA= .002
V=746.9
21. 19-1626
C36H40Br2CuN4O8
Triklin
Dexp Dcal d(D) h k l
8.0900 8.1027 -.0127 0 1 1
7.1900 7.1724 .0176 0 -1 1
6.5900 6.5892 .0008 1 0 0
6.0900 6.0816 .0084 -1 1 0
5.6500 5.6530 -.0030 -1 1 1
5.3200 5.3272 -.0072 0 -2 1
4.9900 4.9892 .0008 -1 2 0
4.8700 4.8671 .0029 1 0 1
4.5900 4.5863 .0037 0 3 1
4.4300 4.4245 .0055 0 0 2
3.7000 3.7003 -.0003 0 4 0
3.5700 3.5700 -.0000 -1 -3 1
3.3900 3.3915 -.0015 1 0 2
2.6800 2.6803 -.0003 -1 3 3
A= 6.717 DA= .001
B= 14.966 DB= .006
C= 9.105 DC= .007
GAMMA= 93.13 DGAMMA= .04
BETA =101.11 DBETA = .02
ALPHA= 81.64 DALPHA= .04
V= 888.3
22. 19-1631
C10H20CuN2S4
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
8.7700 8.7224 .0476 1 1 0
7.5500 7.5430 .0070 0 0 1
7.1300 7.1439 -.0139 1 0 1
6.1500 6.1479 .0021 -1 0 1
4.9900 4.9871 .0029 2 1 1
4.5500 4.5477 .0023 0 2 1
4.3600 4.3612 -.0012 2 2 0
4.1800 4.1800 .0000 -1 2 1
3.8100 3.8100 .0000 1 0 2
a= 13.759 b=11.4005 c=7.66168 beta= 79.896
da= .004 db=.0006 dc=.00009 dbet=.001
V=1183.6
23. 19-1731
C4H16CuN4O4S*2H2O
Triklin
Dexp Dcal d(D) h k l
8.9500 8.9504 -.0004 1 0 0
7.3200 7.3170 .0030 0 1 1
5.3100 5.3109 -.0009 0 -1 1
4.8500 4.8479 .0021 -1 1 1
4.0500 4.0464 .0036 1 3 1
3.6700 3.6722 -.0022 1 0 2
3.5200 3.5188 .0012 -2 0 1
3.1700 3.1727 -.0027 0 -1 2
2.9200 2.9201 -.0001 3 3 1
2.8500 2.8489 .0011 1 4 2
2.7000 2.7013 -.0013 0 4 0
2.4300 2.4306 -.0006 4 2 1
A= 9.7449 DA= .0008
B= 12.218 DB= .005
C= 8.214 DC= .003
GAMMA= 69.72 DGAMMA= .02
BETA = 71.67 DBETA = .01
ALPHA= 66.07 DALPHA= .02
V= 821.0
24. 19-1796
CH4Cl2CuO
Triklin
Dexp Dcal d(D) h k l
7.6800 7.6801 -.0001 0 1 0
5.4900 5.4934 -.0034 0 -1 2
4.5700 4.5694 .0006 1 0 1
4.3700 4.3781 -.0081 -1 -1 1
3.9400 3.9395 .0005 0 -2 1
3.7700 3.7739 -.0039 -1 0 2
3.4500 3.4539 -.0039 1 1 2
3.3200 3.3242 -.0042 0 1 3
3.2200 3.2229 -.0029 -1 -1 3
2.8820 2.8812 .0008 1 1 3
2.8290 2.8291 -.0001 1 -2 1
2.7470 2.7467 .0003 0 -2 4
A= 4.943 DA= .001
B= 8.029 DB= .003
C= 12.743 DC= .003
GAMMA= 79.80 DGAMMA= .06
BETA = 90.87 DBETA = .01
ALPHA=103.56 DALPHA= .01
V= 483.7
25. 19-1797
C2H8Cl2CuO2
Triklin
Dexp Dcal d(D) h k l
8.3700 8.3533 .0167 0 1 1
7.0600 7.0619 -.0019 1 0 0
6.0200 6.0203 -.0003 0 0 2
4.9200 4.9148 .0052 1 0 2
4.1800 4.1767 .0033 0 2 2
3.9600 3.9674 -.0074 1 2 3
3.7700 3.7688 .0012 2 1 2
3.5000 3.5013 -.0013 1 -1 2
3.4300 3.4294 .0006 2 2 0
3.3400 3.3405 -.0005 1 3 2
3.1300 3.1309 -.0009 -1 2 0
3.0100 3.0102 -.0002 0 0 4
A= 8.015 DA= .002
B= 10.074 DB= .003
C= 13.407 DC= .007
GAMMA= 62.75 DGAMMA= .01
BETA = 72.51 DBETA = .01
ALPHA= 64.98 DALPHA= .02
V= 864.2
26. 19-1890
C24H36CuN5S4
Triklin
Dexp Dcal d(D) h k l
13.2000 13.2154 -.0154 1 0 0
10.8000 10.7878 .0122 0 1 0
9.7100 9.7074 .0026 -1 0 1
8.2700 8.2602 .0098 -1 -1 1
7.2000 7.2149 -.0149 1 0 1
6.4600 6.4884 -.0284 -1 1 1
5.8300 5.8290 .0010 0 -2 1
5.4400 5.4338 .0062 -1 0 2
5.3400 5.3400 .0000 -1 2 0
4.8500 4.8537 -.0037 -2 0 2
4.5800 4.5729 .0071 -3 0 1
4.1900 4.1925 -.0025 -3 -1 1
A= 13.871 DA= .007
B= 11.79 DB= .01
C= 11.742 DC= .001
GAMMA= 94.02 DGAMMA= .09
BETA =104.453 DBETA = .009
ALPHA=111.5077 DALPHA= .0004
V= 1701.5
27. 19-1894
C38H44CuNS4
Rombik
Groupa 34,58
Dexp. Dcal. d(D) h k l
9.6200 9.6613 -.0413 2 0 0
8.9800 8.9183 .0617 1 1 0
8.1500 8.1432 .0068 1 0 1
6.7000 6.6970 .0030 0 1 1
6.3700 6.3277 .0423 1 1 1
5.4300 5.4233 .0067 3 1 0
4.3600 4.3541 .0059 4 1 0
4.2700 4.2773 -.0073 1 2 1
4.0700 4.0716 -.0016 2 0 2
3.2200 3.2204 -.0004 6 0 0
a=19.32 b=10.05 c= 8.98
da= .01 db= .05 dc= .03
V=1744.3
28. 19-1897
C38H36Cl8CuNS4
Triklin
Dexp Dcal d(D) h k l
12.2000 12.2124 -.0124 1 0 0
11.5000 11.4852 .0148 0 0 1
9.7600 9.7587 .0013 -1 -1 1
7.8500 7.8490 .0010 0 -2 1
7.2100 7.2120 -.0020 1 0 1
5.7600 5.7602 -.0002 -1 -2 2
5.0300 5.0313 -.0013 -2 2 0
4.2300 4.2299 .0001 -3 -1 1
4.1600 4.1594 .0006 -2 3 0
3.9600 3.9602 -.0002 0 4 0
3.9100 3.9100 -.0000 -2 0 3
3.5100 3.5099 .0001 3 2 0
A= 13.0294 DA= .0004
B= 16.8045 DB= .0007
C= 12.9479 DC= .0005
GAMMA= 87.668 DGAMMA= .004
BETA =109.920 DBETA = .006
ALPHA=109.00 DALPHA= .01
V= 2512.6
29. 19-1899
C36H24CuNS4
Triklin
Dexp Dcal d(D) h k l
12.6000 12.5987 .0013 0 1 1
11.7000 11.7124 -.0124 1 0 0
8.7200 8.7227 -.0027 0 -1 1
7.9600 7.9618 -.0018 -1 1 0
7.6100 7.6153 -.0053 0 2 0
7.2400 7.2337 .0063 0 1 2
6.1400 6.1351 .0049 -2 -1 1
5.6300 5.6321 -.0021 1 2 2
5.2500 5.2474 .0026 1 0 2
5.0800 5.0768 .0032 0 3 0
4.4000 4.4003 -.0003 1 -1 2
4.1300 4.1305 -.0005 -1 3 0
3.9300 3.9303 -.0003 2 4 0
3.4900 3.4901 -.0001 3 0 1
3.2300 3.2302 -.0002 -2 -1 4
A= 12.846 DA= .001
B= 17.073 DB= .007
C= 14.798 DC= .005
GAMMA= 72.54340 DGAMMA= .00004
BETA =100.77 DBETA = .01
ALPHA= 73.99 DALPHA= .03
V= 2844
30. 19-1900
C32H52CuNS4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.4000 11.4016 -.0016 1 0 0
8.4200 8.4319 -.0119 1 1 0
7.7700 7.7223 .0477 0 1 1
7.0800 7.0997 -.0197 1 0 1
6.6500 6.6357 .0143 -1 1 1
6.2600 6.2634 -.0034 0 2 0
4.9100 4.9038 .0062 0 0 2
4.7700 4.7653 .0047 -2 1 1
4.2200 4.2160 .0040 2 2 0
3.9100 3.9117 -.0017 -2 0 2
3.5500 3.5498 .0002 2 0 2
3.1300 3.1308 -.0008 2 3 1
a= 11.46 b= 12.53 c= 9.855 beta= 95.61
da=.02 db= .03 dc=.002 dbeta=.04
V= 1407.5
Triklin
Dexp Dcal d(D) h k l
11.4000 11.3588 .0412 1 0 0
8.4200 8.4271 -.0071 1 1 0
7.7700 7.7694 .0006 -1 -1 1
7.0800 7.0849 -.0049 -1 1 0
6.6500 6.6500 .0000 1 0 1
6.2600 6.2599 .0001 0 1 1
4.9100 4.9110 -.0010 -1 -1 2
4.7700 4.7702 -.0002 0 -1 2
4.2200 4.2194 .0006 -1 -2 2
3.9100 3.9099 .0001 -3 -1 1
3.5500 3.5501 -.0001 -3 -2 1
3.1300 3.1299 .0001 0 2 2
A= 11.912 DA= .001
B= 11.0375 DB= .0007
C= 10.0746 DC= .0006
GAMMA= 76.536 DGAMMA= .001
BETA =104.521 DBETA = .009
ALPHA=107.013 DALPHA= .004
V=1207.9
31. 19-1937
C36H20As18CuS4
Triklin
Dexp Dcal d(D) h k l
10.9000 10.8768 .0232 1 0 0
10.1000 10.0869 .0131 0 1 0
9.4600 9.4647 -.0047 0 0 1
7.1400 7.1707 -.0307 -1 1 1
6.3700 6.3823 -.0123 0 1 1
5.4200 5.4183 .0017 -1 2 0
5.0200 5.0188 .0012 -1 0 2
4.8000 4.8023 -.0023 0 -2 1
4.4000 4.3999 .0001 -2 0 2
4.1700 4.1669 .0031 0 2 1
4.0300 4.0292 .0008 0 1 2
3.8600 3.8595 .0005 -3 0 1
3.4200 3.4206 -.0006 2 1 1
3.2800 3.2800 -.0000 -3 2 2
A= 12.337 DA= .004
B= 10.8967 DB= .0006
C= 10.094 DC= .005
GAMMA=110.07 DGAMMA= .03
BETA =107.94 DBETA = .03
ALPHA= 92.65 DALPHA= .01
V= 1195.1
32. 19-1960
C12H36Cl2CuN4O12
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.7600 7.7786 -.0186 0 1 0
6.5700 6.5813 -.0113 1 1 0
5.4900 5.4857 .0043 0 0 2
4.9300 4.9324 -.0024 -1 0 2
4.4900 4.4830 .0070 0 1 2
4.1900 4.1942 -.0042 2 0 2
3.9100 3.9108 -.0008 3 0 1
3.5000 3.5000 .0000 -1 2 1
3.2100 3.2096 .0004 2 0 3
a= 12.358 b= 7.779 c= 10.982 beta= 87.4
da= .006 db=.002 dc=.008 dbeta=.1
V= 1054.7
33. 19-1978
C18H15BrCuPS
Triklin
Dexp Dcal d(D) h k l
13.2000 13.2036 -.0036 1 0 0
9.0100 9.0101 -.0001 -1 1 1
8.6600 8.6614 -.0014 -1 0 1
8.1200 8.1157 .0043 1 0 1
6.4400 6.4497 -.0097 1 -1 1
5.7600 5.7526 .0074 -1 -1 1
5.4200 5.4169 .0031 0 0 2
5.1200 5.1193 .0007 2 -1 1
4.7100 4.7088 .0012 1 2 1
4.3900 4.3900 -.0000 0 -1 2
4.2600 4.2580 .0020 -3 2 1
4.0900 4.0898 .0002 -1 -1 2
A= 14.0363 DA= .0001
B= 12.4798 DB= .0004
C= 11.526 DC= .003
GAMMA=109.49 DGAMMA= .02
BETA = 99.84 DBETA = .02
ALPHA= 70.396 DALPHA= .008
V=1789.6