1. 38-0153
{Cu0.1Zn0.9}5{CO3}2{OH}6
Triklin
Dexp Dcal d(D) h k l
6.8200 6.8378 -.0178 0 1 0
5.3500 5.3467 .0033 1 -1 1
4.0400 4.0429 -.0029 0 -1 2
3.7100 3.7090 .0010 1 1 0
3.4700 3.4719 -.0019 1 -2 2
3.2000 3.2002 -.0002 1 1 1
2.9000 2.9005 -.0005 -1 0 2
2.7400 2.7400 -.0000 0 -1 3
2.6800 2.6794 .0006 2 0 0
2.5300 2.5289 .0011 0 0 3
2.3400 2.3405 -.0005 2 -2 3
2.1300 2.1294 .0006 -2 2 1
A= 5.893 DA= .001
B= 8.059 DB= .002
C= 8.619 DC= .002
GAMMA=113.16 DGAMMA= .04
BETA = 72.53 DBETA = .02
ALPHA=117.13 DALPHA= .06
V= 331.3
2. 38-0154
{Cu0.2Zn0.8}5{CO3}2{OH}6
Triklin
Dexp Dcal d(D) h k l
6.8000 6.7999 .0001 0 1 0
4.6200 4.6194 .0006 0 -1 2
4.0400 4.0381 .0019 1 0 1
3.7000 3.7011 -.0011 1 1 2
3.2000 3.1987 .0013 -1 1 0
3.0200 3.0226 -.0026 1 2 1
2.9000 2.8989 .0011 -1 1 2
2.7400 2.7445 -.0045 1 2 3
2.6200 2.6177 .0023 0 2 4
2.5000 2.5008 -.0008 0 -1 5
2.4400 2.4403 -.0003 -1 -1 4
2.3400 2.3425 -.0025 -1 2 1
A= 4.24710 DA= .00000
B= 7.07025 DB= .00001
C= 14.35052 DC= .00001
GAMMA= 75.77743 DGAMMA= .00005
BETA = 82.7754 DBETA = .0001
ALPHA= 81.33425 DALPHA= .00007
V=411.2
3. 38-0300
alfa-AgCuPO4
Rombik
Grupa 60
7.7100 7.6696 .0404 0 0 2
4.5400 4.5205 .0195 0 2 1
4.4700 4.4698 .0002 2 1 2
3.8700 3.8759 -.0059 2 2 0
3.6920 3.6893 .0027 1 0 4
3.4260 3.4372 -.0112 1 1 4
3.1440 3.1458 -.0017 2 1 4
3.0720 3.0713 .0007 1 3 0
2.9434 2.9400 .0034 4 1 2
2.9079 2.9092 -.0013 1 2 4
2.7961 2.7907 .0054 3 1 4
2.7476 2.7507 -.0031 3 2 3
a=13.521 b= 9.461 c=15.339
da= .009 db= .003 dc= .003
V=1962
4. 38-0498
Cu{SCN}0.333
Triklin
Dexp Dcal d(D) h k l
3.2050 3.2045 .0005 0 0 1
3.0380 3.0381 -.0001 0 -2 1
2.8110 2.8103 .0007 -1 0 1
2.7750 2.7747 .0003 1 -2 1
2.7240 2.7236 .0004 -1 -2 1
2.3150 2.3136 .0014 2 1 1
2.1660 2.1652 .0008 -2 1 1
2.0410 2.0412 -.0002 3 3 0
1.9650 1.9653 -.0003 0 6 1
1.8980 1.8983 -.0003 0 -7 1
1.7350 1.7353 -.0003 -2 5 1
1.6750 1.6752 -.0002 3 4 1
A= 6.47851 DA= .00007
B= 15.7824 DB= .0001
C= 3.21548 DC= .00005
GAMMA= 86.164 DGAMMA= .001
BETA = 87.1571 DBETA = .0004
ALPHA= 93.5833 DALPHA= .0005
V=326.9
5. 38-0499
Cu{SCN}0.333
Triklin
Dexp Dcal d(D) h k l
8.1000 8.1222 -.0222 1 0 0
4.0800 4.0818 -.0018 0 -2 0
3.2800 3.2790 .0010 1 1 1
3.2200 3.2211 -.0011 0 1 1
3.0430 3.0406 .0024 0 -1 1
2.8090 2.8079 .0011 -1 -1 1
2.7240 2.7212 .0028 0 3 0
2.3180 2.3171 .0009 1 3 1
2.0960 2.0957 .0003 2 -2 1
1.8980 1.8979 .0001 -2 -3 1
1.8980 1.8979 .0001 -2 -3 1
1.7340 1.7346 -.0006 -2 3 1
A= 8.5222 DA= .0002
B= 8.49493 DB= .00003
C= 3.4515 DC= .0001
GAMMA= 74.628 DGAMMA= .002
BETA = 79.755 DBETA = .001
ALPHA= 82.858 DALPHA= .003
V=236.3
6. 38-0532
CuSeO4*5H2O
Triklin
Dexp Dcal d(D) h k l
5.7540 5.7481 .0059 1 1 0
5.2160 5.2162 -.0002 0 1 1
4.4840 4.4821 .0019 0 -1 1
4.0040 4.0073 -.0033 1 -1 1
3.6780 3.6801 -.0021 1 0 2
3.4270 3.4277 -.0007 2 1 2
3.2780 3.2751 .0029 0 2 1
3.2090 3.2100 -.0010 0 1 2
2.9980 2.9996 -.0016 1 2 2
2.8490 2.8502 -.0012 0 -1 2
2.5080 2.5085 -.0005 1 1 3
2.4420 2.4414 .0006 1 0 3
1.9260 1.9257 .0003 2 1 4
1.5750 1.5750 .0000 -2 -1 3
A= 8.4013 DA= .0008
B= 7.461 DB= .002
C= 7.708 DC= .001
GAMMA= 69.34 DGAMMA= .04
BETA = 61.57 DBETA = .01
ALPHA= 73.03 DALPHA= .03
V=393.1
7. 38-0533
CuSeO4
Triklin
Dexp Dcal d(D) h k l
5.3400 5.3406 -.0006 0 1 1
4.6230 4.6246 -.0016 -1 1 1
4.1140 4.1156 -.0016 0 -1 1
3.8110 3.8139 -.0029 0 0 2
3.7540 3.7543 -.0003 1 -1 1
3.5620 3.5570 .0050 -1 -1 1
3.4060 3.4055 .0005 -1 1 2
3.3270 3.3266 .0004 -2 1 1
3.1280 3.1314 -.0034 2 1 0
2.6070 2.6067 .0003 2 1 2
2.4370 2.4371 -.0001 1 -2 1
2.2860 2.2857 .0003 3 1 1
A= 7.9566 DA= .0001
B= 6.03058 DB= .00005
C= 7.91320 DC= .00003
GAMMA= 95.716 DGAMMA= .001
BETA = 91.6983 DBETA = .0003
ALPHA= 74.5724 DALPHA= .0006
V=364.0
8. 38-0593
ClO2Cu{ClO4}3
Triklin
Dexp Dcal d(D) h k l
9.1200 9.1166 .0034 0 0 1
6.9600 6.9469 .0131 0 -2 1
6.1500 6.1470 .0030 -1 1 0
5.7100 5.7182 -.0082 1 1 1
5.4600 5.4572 .0028 1 -2 1
4.8200 4.8211 -.0011 0 -4 1
4.4800 4.4782 .0018 0 5 1
4.3000 4.3028 -.0028 1 0 2
3.9000 3.9049 -.0049 -1 4 1
3.8000 3.8044 -.0044 0 -3 2
3.6700 3.6702 -.0002 1 5 1
3.5600 3.5592 .0008 0 -6 1
A= 6.45620 DA= .00000
B= 24.4909 DB= .0001
C= 9.54449 DC= .00005
GAMMA= 95.5948 DGAMMA= .0005
BETA = 73.8231 DBETA = .0001
ALPHA= 85.8600 DALPHA= .0003
V=1434.7
9. 38-0594
CuClO4
Triklin
Dexp Dcal d(D) h k l
6.8000 6.8030 -.0030 0 -1 1
5.4800 5.4831 -.0031 1 -1 1
4.2900 4.2872 .0028 0 -3 1
4.1400 4.1365 .0035 1 -3 1
4.0400 4.0379 .0021 1 3 0
3.7400 3.7401 -.0001 -2 2 1
3.6100 3.6121 -.0021 2 0 1
3.5700 3.5716 -.0016 2 -2 1
3.2800 3.2824 -.0024 1 4 0
3.0500 3.0518 -.0018 0 -3 2
2.9900 2.9911 -.0011 2 -4 1
2.8000 2.7991 .0009 2 -1 2
A= 8.646 DA= .001
B= 16.457 DB= .004
C= 7.6678 DC= .0006
GAMMA=104.76 DGAMMA= .05
BETA = 92.703 DBETA = .009
ALPHA= 87.345 DALPHA= .005
V=1052.7
10. 38-0598
SnCu{PO4}2*3H2O
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
9.5400 9.5376 .0024 1 0 0
4.6700 4.6864 -.0164 -2 0 1
4.2800 4.2863 -.0063 1 1 1
3.9400 3.9441 -.0041 -2 1 1
3.1600 3.1655 -.0055 -2 1 2
2.9900 2.9942 -.0042 -3 1 1
2.1600 2.1602 -.0002 -2 3 1
1.9700 1.9712 -.0012 -3 2 3
1.6200 1.6199 .0001 -2 4 2
1.4400 1.4401 -.0001 1 3 4
a= 9.94 b= 7.303 c= 8.00 beta= 106.38
da= .01 db=.001 dc=.01 dbet=.02
V=555.3
11. 38-0766
Cu4CdSb
Triklin
Dexp Dcal d(D) h k l
2.9780 2.9785 -.0005 1 0 0
2.1220 2.1218 .0002 0 -3 1
2.0490 2.0485 .0005 -1 -2 1
1.9330 1.9325 .0005 -1 -3 1
1.7330 1.7333 -.0003 0 6 1
1.6420 1.6423 -.0003 1 -2 1
1.5010 1.5012 -.0002 1 -4 1
1.3470 1.3462 .0008 -1 9 0
1.2960 1.2991 -.0031 -2 5 0
1.2270 1.2266 .0004 -1 3 2
1.0860 1.0858 .0002 0 -11 1
1.0770 1.0770 .0000 0 7 2
A= 3.0666 DA= .0008
B= 13.72759 DB= .00006
C= 2.5536 DC= .0002
GAMMA= 89.86 DGAMMA= .01
BETA =103.74 DBETA = .01
ALPHA= 86.566 DALPHA= .001
V=208.4
Triklin
Dexp Dcal d(D) h k l
2.9780 2.9777 .0003 2 0 0
2.1220 2.1222 -.0002 0 -3 2
2.0490 2.0490 .0000 -2 -2 2
1.9330 1.9330 -.0000 -2 -3 2
1.7330 1.7329 .0001 0 6 2
1.6420 1.6420 .0000 2 -2 2
1.5010 1.5010 -.0000 2 -4 2
1.3470 1.3460 .0010 -2 9 0
1.2960 1.2960 -.0000 1 10 1
1.2270 1.2270 .0000 0 8 3
1.0860 1.0860 .0000 0 -11 2
1.0770 1.0768 .0002 0 7 4
A= 6.1320 DA= .0004
B= 13.7272 DB= .0002
C= 5.1075 DC= .0001
GAMMA= 89.850 DGAMMA= .005
BETA =103.760 DBETA = .008
ALPHA= 86.595 DALPHA= .006
М=833.6
12. 38-0874
Cu0.4Al0.75Zn1.85O5
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
12.2600 11.8271 .4329 1 0 0
9.3300 9.3259 .0041 1 1 0
7.5000 7.5819 -.0819 0 2 0
7.1500 7.1054 .0446 1 0 1
4.9200 4.9234 -.0034 2 0 1
4.4400 4.3938 .0462 0 3 1
3.8080 3.8155 -.0075 3 1 0
3.4960 3.4978 -.0018 3 2 0
3.3450 3.3447 .0003 1 4 1
2.8060 2.8056 .0004 4 0 1
2.6300 2.6312 -.0012 4 2 1
2.4550 2.4530 .0020 4 3 1
a=11.827 b=15.16 c= 8.888
da= .001 db= .09 dc= .005
V=1594.0
13. 38-0878
Cu3AsSe3
Triklin
Dexp Dcal d(D) h k l
3.9247 3.9216 .0031 0 1 2
3.7043 3.7045 -.0002 0 -1 2
3.6758 3.6762 -.0004 -1 0 2
3.3728 3.3724 .0004 -1 2 2
3.2934 3.2927 .0007 1 -1 2
3.1638 3.1645 -.0007 1 3 2
3.0938 3.0938 -.0000 0 -5 0
3.0239 3.0250 -.0011 -2 0 2
2.9210 2.9201 .0009 3 0 0
2.9020 2.9011 .0009 3 2 0
2.8558 2.8553 .0005 1 4 2
2.8338 2.8341 -.0003 2 0 2
A= 8.9012 DA= .0002
B= 15.7970 DB= .0001
C= 7.92350 DC= .00008
GAMMA= 80.503 DGAMMA= .001
BETA = 92.6450 DBETA = .0004
ALPHA= 83.6989 DALPHA= .0009
V=1089.6
14. 38-1142
alfa-AgCuTl2SSe
Triklin
Dexp Dcal d(D) h k l
4.6708 4.6628 .0080 1 0 1
3.5758 3.5759 -.0001 -2 2 0
3.5339 3.5345 -.0006 0 -2 1
3.4270 3.4278 -.0008 1 -2 1
3.3143 3.3143 -.0000 -1 3 0
3.1318 3.1309 .0009 -2 -1 1
2.8313 2.8313 .0000 -2 3 0
2.7632 2.7625 .0007 3 3 0
2.6749 2.6736 .0013 4 0 0
2.5425 2.5430 -.0005 2 -3 1
2.3266 2.3265 .0001 4 3 0
2.2273 2.2272 .0001 1 2 2
A= 11.084 DA= .001
B= 11.0990 DB= .0006
C= 4.78432 DC= .00004
GAMMA= 81.240 DGAMMA= .0070
BETA = 77.266 DBETA = .009
ALPHA= 87.461 DALPHA= .004
V=567.3
15. 38-1628
C8H4CuO4*5H2O
Triklin
Dexp Dcal d(D) h k l
12.8100 13.2486 -.4386 0 1 1
10.7560 10.7590 -.0030 1 0 0
8.2220 8.2246 -.0026 -1 1 1
7.1842 7.1837 .0005 -1 -1 1
5.9774 5.9778 -.0004 1 -1 1
5.3595 5.3597 -.0002 -1 2 0
4.9279 4.9298 -.0019 -2 1 1
3.8667 3.8664 .0003 0 1 4
3.4796 3.4785 .0011 -1 4 2
3.2181 3.2178 .0003 1 0 4
3.0977 3.0968 .0009 0 -1 4
2.9689 2.9693 -.0004 -3 2 0
A= 10.9595 DA= .0009
B= 15.4261 DB= .0008
C= 15.8681 DC= .0005
GAMMA= 82.94 DGAMMA= .01
BETA = 94.427 DBETA = .006
ALPHA= 64.117 DALPHA= .002
V=2369
16. 38-1629
C8H4CuO4*2.5H2O
Triklin
Dexp Dcal d(D) h k l
7.3143 7.3527 -.0384 1 0 1
6.0670 6.0673 -.0003 -1 1 1
5.3919 5.3931 -.0012 1 -1 1
4.5660 4.5676 -.0016 -1 1 2
4.1869 4.1849 .0020 0 -1 2
3.6627 3.6619 .0008 -2 1 2
3.4663 3.4650 .0013 1 0 3
3.0893 3.0888 .0005 -1 -2 1
2.8938 2.8924 .0014 0 2 3
2.6890 2.6898 -.0008 -1 1 4
2.6040 2.6049 -.0009 1 1 4
2.5481 2.5484 -.0003 -2 -1 3
A= 9.947 DA= .001
B= 7.8676 DB= .0006
C= 11.237 DC= .001
GAMMA=100.83 DGAMMA= .01
BETA = 91.4007 DBETA = .0009
ALPHA= 80.86 DALPHA= .01
V= 852.7
17. 38-1808
C10H7Cl2CuN3S
Geksagon
Grupa 143
Dexp. Dcal. d(D) h k l
13.5000 13.7213 -.2213 1 0 0
12.3000 12.3619 -.0619 0 0 1
6.2600 6.1810 .0790 0 0 2
5.2170 5.1861 .0309 2 1 0
4.7770 4.7823 -.0053 2 1 1
4.2740 4.2896 -.0156 3 0 1
4.0900 4.1206 -.0306 0 0 3
3.8170 3.8056 .0114 3 1 0
3.5470 3.5325 .0145 2 0 3
2.9900 2.9942 -.0042 4 1 0
a= 15.844 c= 12.36
da= .004 dc=.02
V=2687
Monoklin
GRUPA 4, 11
Dexp. Dcal. d(D) h k l
13.5000 13.2865 .2135 0 0 1
12.3000 12.2590 .0410 1 0 0
6.2600 6.2639 -.0039 1 1 0
5.2170 5.2262 -.0092 -1 0 2
4.7770 4.7774 -.0004 2 1 1
4.2740 4.2795 -.0055 3 0 1
4.0900 4.0863 .0037 3 0 0
3.8170 3.8184 -.0014 -1 0 3
3.5470 3.5471 -.0001 3 1 2
2.9900 2.9896 .0004 -1 0 4
a= 12.84 b= 7.287 c= 13.92 beta= 72.70
da=.04 db=.009 dc=.01 dbet=.09
V=1242.6.
18. 38-1815
C14H24CuN2S4
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
7.6980 7.7237 -.0257 1 1 0
6.5290 6.5364 -.0074 0 2 0
4.7660 4.7867 -.0207 2 0 0
4.6070 4.6093 -.0023 1 1 2
4.3920 4.3958 -.0038 -2 0 1
4.1870 4.1976 -.0106 2 1 1
4.0730 4.0708 .0022 0 3 1
3.7510 3.7517 -.0007 1 3 1
3.4630 3.4629 .0001 0 3 2
3.1180 3.1186 -.0006 1 2 3
2.9190 2.9190 .0000 2 1 3
2.7520 2.7516 .0004 1 3 3
a= 9.57 b= 13.0727 c= 11.410 beta= 89.33
da= .03 db=.0009 dc= .004 dbet= .07
V=1425
1. 39-0135
CuSn{PO4}2*4H2O
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
9.3100 9.2606 .0494 0 0 1
4.6300 4.6303 -.0003 0 0 2
4.2900 4.2803 .0097 1 2 0
3.9400 3.9314 .0086 3 0 1
3.4500 3.4519 -.0019 2 2 1
3.1700 3.1673 .0027 3 0 2
2.4800 2.4800 .0000 3 3 0
2.1700 2.1703 -.0003 1 4 1
1.9900 1.9909 -.0009 5 0 3
1.6100 1.6100 .0000 4 0 5
1.5700 1.5696 .0004 7 1 3
1.4400 1.4402 -.0002 8 0 3
a=13.026 b= 9.064 c= 9.261
da= .005 db= .005 dc= .005
V=1093
2. 39-0340
PbCu2{AsO4}2*2H2O
Triklin
Dexp Dcal d(D) h k l
6.8620 6.8615 .0005 0 1 1
4.9820 4.9821 -.0001 2 1 1
4.6940 4.6919 .0021 -2 0 2
4.4950 4.4880 .0070 1 0 2
4.0720 4.0740 -.0020 1 2 0
3.4110 3.4107 .0003 3 2 0
3.3200 3.3197 .0003 3 -1 1
3.2730 3.2737 -.0007 1 -2 1
3.1580 3.1574 .0006 3 0 2
3.0370 3.0384 -.0014 -2 -1 3
2.9610 2.9612 -.0002 0 -1 3
2.8700 2.8687 .0013 -3 -2 2
A= 15.023 DA= .003
B= 8.248 DB= .001
C= 10.5228 DC= .0001
GAMMA= 81.23 DGAMMA= .01
BETA =101.82 DBETA = .02
ALPHA= 83.01 DALPHA= .02
V=1245
3. 39-0507
{NO2}2Cu{ClO4}4
Triklin
Dexp Dcal d(D) h k l
8.1800 8.1766 .0034 -1 1 0
7.3600 7.3579 .0021 1 1 0
5.6700 5.6728 -.0028 1 1 1
4.8700 4.8723 -.0023 0 0 2
3.9800 3.9775 .0025 1 -2 2
3.8600 3.8613 -.0013 0 2 1
3.5900 3.5889 .0011 -3 1 1
3.5200 3.5199 .0001 4 0 1
3.4900 3.4900 .0000 -3 2 0
3.4800 3.4801 -.0001 -1 -2 2
3.3600 3.3603 -.0003 2 2 1
3.2300 3.2295 .0005 1 -3 1
A= 14.45 DA= .01
B= 9.710 DB= .002
C= 10.3346 DC= .0008
GAMMA= 99.86 DGAMMA= .01
BETA = 75.88 DBETA = .06
ALPHA=105.374 DALPHA= .009
V=1347.0
4. 39-0508
NO2Cu{ClO4}3
Triklin
Dexp Dcal d(D) h k l
6.6500 6.6514 -.0014 0 1 1
5.6700 5.6703 -.0003 0 -1 1
4.1700 4.1695 .0005 -1 1 2
3.9100 3.9111 -.0011 -1 2 0
3.8100 3.8106 -.0006 -1 2 1
3.7500 3.7426 .0074 2 0 2
3.5900 3.6031 -.0131 3 0 0
3.4900 3.4879 .0021 -2 0 2
3.3700 3.3696 .0004 2 -1 2
3.2700 3.2679 .0021 -1 2 2
3.1700 3.1709 -.0009 2 -2 1
2.9500 2.9496 .0004 -2 -1 2
A= 10.98 DA= .02
B= 8.0646 DB= .0008
C= 9.833 DC= .003
GAMMA= 99.30 DGAMMA= .08
BETA = 87.46 DBETA = .07
ALPHA= 81.25 DALPHA= .01
V= 847.21
5. 39-0524
Rb2Cu{SO4}2
Triklin
Dexp Dcal d(D) h k l
7.1100 7.1080 .0020 -1 0 2
6.9400 6.9410 -.0010 0 1 0
5.5600 5.5649 -.0049 1 0 2
4.7400 4.7335 .0065 -1 1 2
4.2900 4.2934 -.0034 -1 -1 3
4.1300 4.1265 .0035 0 0 4
3.8500 3.8535 -.0035 1 -1 2
3.8000 3.7996 .0004 0 1 4
3.3800 3.3807 -.0007 0 2 2
3.2500 3.2503 -.0003 -1 -2 2
3.2200 3.2187 .0013 2 2 1
3.1900 3.1915 -.0015 -3 0 2
A= 10.0568 DA= .006
B= 7.2975 DB= .0005
C= 17.066 DC= .002
GAMMA= 74.05 DGAMMA= .01
BETA =102.13 DBETA = .04
ALPHA= 85.43 DALPHA= .01
V=1163.8
6. 39-0525
Tl2Cu{SO4}2
Triklin
Dexp Dcal d(D) h k l
5.2300 5.2330 -.0030 1 0 2
4.3900 4.3846 .0054 0 1 1
4.3200 4.3229 -.0029 3 0 2
4.0600 4.0603 -.0003 4 0 0
3.8000 3.7976 .0024 -2 1 1
3.6800 3.6915 -.0115 4 0 2
3.5400 3.5397 .0003 3 -1 1
3.4800 3.4778 .0022 2 1 2
3.2700 3.2701 -.0001 -3 0 2
3.2400 3.2482 -.0082 5 0 0
3.2100 3.2072 .0028 0 -1 2
A= 16.905 DA= .003
B= 4.6344 DB= .0004
C= 10.529 DC= .001
GAMMA= 93.076 DGAMMA= .01
BETA = 74.61 DBETA = .04
ALPHA= 84.15 DALPHA= .01
V= 788.3
7. 39-0945
CuTl6In5S11
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
5.5390 5.5535 -.0145 1 0 2
5.3720 5.3882 -.0162 0 1 0
4.1140 4.1185 -.0045 2 1 0
3.1670 3.1664 .0006 1 1 3
2.9940 2.9973 -.0033 1 0 4
2.7810 2.7767 .0043 2 0 4
2.7480 2.7473 .0007 4 1 0
2.4670 2.4683 -.0013 2 1 4
2.3580 2.3604 -.0024 5 0 2
2.2770 2.2767 .0003 3 2 0
1.9790 1.9801 -.0011 6 1 0
1.8870 1.8853 .0017 6 1 2
a=12.7747 b= 5.388 c=12.3333
da= .0008 db= .005 dc= .0003
V= 848.9
8. 39-1518
C18H16CuN2O6*6H2O
Rombik
Groupa 30, 53
Dexp. Dcal. d(D) h k l
10.4020 10.4215 -.0195 0 1 1
6.8018 6.7827 .0191 0 0 2
5.7186 5.7074 .0112 1 0 2
5.0390 5.0383 .0007 0 3 1
4.6707 4.6731 -.0024 1 2 2
4.4394 4.4306 .0088 2 2 0
4.0401 4.0370 .0031 2 1 2
3.7855 3.7848 .0007 2 3 0
3.5201 3.5210 -.0009 3 0 0
3.3022 3.3051 -.0029 2 3 2
2.9029 2.9023 .0006 2 3 3
2.4422 2.4426 -.0004 3 0 4
a=10.56 b=16.28 c=13.565
da= .01 db= .02 dc= .005
V=2333
Triklin
Dexp Dcal d(D) h k l
10.4020 10.4058 -.0038 1 0 0
6.8018 6.8057 -.0039 0 1 1
5.7186 5.7155 .0031 0 -1 1
5.0390 5.0369 .0021 2 0 2
4.6707 4.6735 -.0028 2 -1 1
4.4394 4.4398 -.0004 -1 -1 1
4.0401 4.0405 -.0004 -2 0 1
3.7855 3.7851 .0004 3 0 2
3.5201 3.5202 -.0001 0 1 3
3.3022 3.3015 .0007 -3 1 0
2.9029 2.9031 -.0002 4 0 2
2.4422 2.4422 .0000 1 3 2
A= 11.6306 DA= .0007
B= 7.679 DB= .002
C= 12.238 DC= .005
GAMMA= 92.29 DGAMMA= .03
BETA = 64.281 DBETA = .007
ALPHA= 81.46 DALPHA= .03
V= 967.0
9. 39-1567
C17H11CuNO2
Triklin
Dexp Dcal d(D) h k l
12.7360 12.7364 -.0004 -1 1 0
9.7826 9.7910 -.0084 1 1 0
8.8882 8.8832 .0050 0 -1 1
6.1566 6.1571 -.0005 1 -2 1
5.0499 5.0504 -.0005 2 1 1
4.2052 4.2067 -.0015 3 0 1
3.9316 3.9328 -.0012 -2 3 2
3.6871 3.6866 .0005 4 0 0
3.2977 3.2979 -.0002 -4 0 2
2.9329 2.9328 .0001 -5 3 0
2.7494 2.7495 -.0001 2 -3 3
2.6059 2.6058 .0001 -1 -4 3
2.3234 2.3233 .0001 5 1 2
2.0937 2.0939 -.0002 3 -7 2
2.0325 2.0325 .0000 -4 8 0
A= 15.506 DA= .008
B= 17.05 DB= .02
C= 10.827 DC= .001
GAMMA=105.36 DGAMMA= .04
BETA =100.105 DBETA = .003
ALPHA= 86.53 DALPHA= .08
V= 2717.5
10. 39-1703
C11H14CuN2O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.7500 11.8184 -.0684 0 1 1
7.1800 7.1843 -.0043 -1 0 1
6.4400 6.4622 -.0222 -1 1 1
6.0300 5.9908 .0392 0 1 3
5.4300 5.4312 -.0012 1 2 1
4.9200 4.9143 .0057 0 0 4
4.7900 4.7819 .0081 0 3 1
4.4100 4.4067 .0033 0 3 2
4.1000 4.0952 .0048 2 0 0
3.9800 3.9832 -.0032 2 1 1
3.8000 3.7995 .0005 0 1 5
3.6100 3.6098 .0002 2 2 1
a= 8.286 b= 14.790 c= 19.9 beta= 81.3
da=.001 db=.008 dc=.03 dbeta=.3
V= 2409
Triklin
Dexp Dcal d(D) h k l
11.7500 11.7385 .0115 -1 1 0
7.1800 7.1797 .0003 0 0 1
6.4400 6.4401 -.0001 0 -2 1
6.0300 6.0222 .0078 2 0 0
5.4300 5.4303 -.0003 -1 2 1
4.9200 4.9175 .0025 0 3 1
4.7900 4.7931 -.0031 -1 3 1
4.4100 4.4089 .0011 -2 2 1
4.1000 4.0999 .0001 -2 3 1
3.9800 3.9805 -.0005 1 5 0
3.8000 3.7998 .0002 -2 -3 1
3.6100 3.6098 .0002 3 -2 1
A= 12.337 DA= .002
B= 23.468 DB= .002
C= 7.238 DC= .001
GAMMA=102.52 DGAMMA= .01
BETA = 88.449 DBETA = .007
ALPHA= 97.27 DALPHA= .03
V= 2029.4
11. 39-1704
С11H14CuN2O4
Triklin
Dexp Dcal d(D) h k l
11.4900 11.4952 -.0052 0 1 0
7.3900 7.3780 .0120 2 0 0
6.6100 6.6281 -.0181 0 0 2
6.0500 6.0545 -.0045 2 1 1
5.9800 5.9799 .0001 2 0 1
5.8700 5.8237 .0463 0 -1 2
5.4900 5.4779 .0121 -2 0 2
5.3400 5.3364 .0036 0 -2 1
5.2000 5.2112 -.0112 -2 1 1
4.9200 4.9187 .0013 3 0 0
4.5600 4.5585 .0015 -1 2 1
4.3700 4.3692 .0008 -3 0 2
A= 16.261 DA= .002
B= 12.441 DB= .001
C= 13.590 DC= .001
GAMMA= 67.5949 DGAMMA= .0002
BETA =102.608 DBETA = .009
ALPHA= 96.451 DALPHA= .006
V=2479.4
12. 39-1718
C14H26CuN2S4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.6980 7.6992 -.0012 1 1 0
6.5290 6.5265 .0025 -1 0 2
4.7660 4.7649 .0011 -2 1 2
4.6070 4.6166 -.0096 1 0 2
4.3920 4.3862 .0058 -1 0 3
4.1870 4.1855 .0015 1 2 1
4.0730 4.0785 -.0055 -1 2 2
3.7510 3.7527 -.0017 0 1 3
3.4630 3.4594 .0036 1 2 2
3.1180 3.1177 .0003 1 3 1
2.9190 2.9195 -.0005 -2 3 2
2.7520 2.7520 .0000 3 0 2
a= 12.44 b= 10.448 c= 13.1779 beta= 113.73
da= .01 db= .003 dc= .0004 dbeta=.09
V= 1568.1
13. 39-1930
C42H42CuN2O9S3
Triklin
Dexp Dcal d(D) h k l
9.7600 9.7577 .0023 -1 0 1
7.4900 7.4752 .0148 0 1 1
7.0900 7.0965 -.0065 0 -1 1
6.4700 6.4636 .0064 1 1 1
5.9000 5.8997 .0003 -1 0 2
5.2800 5.2795 .0005 -2 -1 1
4.9300 4.9214 .0086 2 1 1
4.4000 4.3977 .0023 1 -1 2
4.2600 4.2581 .0019 -2 1 2
4.1400 4.1419 -.0019 -1 -2 1
3.9500 3.9509 -.0009 2 1 2
3.8500 3.8501 -.0001 -3 1 0
A= 13.493 DA= .003
B= 9.102 DB= .001
C= 12.376 DC= .006
GAMMA= 85.38 DGAMMA= .01
BETA = 98.398 DBETA = .07
ALPHA= 87.61 DALPHA= .03
V= 1496.6
14. 39-1958
C18H6Cu3O12*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.2300 10.1146 .1154 0 0 1
8.9300 8.9087 .0213 1 1 0
6.7600 6.7697 -.0097 -1 1 1
5.0400 5.0417 -.0017 -1 2 1
4.3500 4.3516 -.0016 1 1 2
4.0000 4.0013 -.0013 0 2 2
3.8100 3.8083 .0017 -3 0 1
3.2900 3.2914 -.0014 -3 2 1
3.1100 3.1119 -.0019 3 0 2
2.8800 2.8810 -.0010 2 4 0
2.8100 2.8102 -.0002 3 2 2
2.7200 2.7212 -.0012 -2 2 3
a= 12.170 b= 13.086 c= 10.120 beta= 91.947
da= .001 db=.003 dc=.002 dbeta=.008
V= 1610.7
Triklin
Dexp Dcal d(D) h k l
10.2300 10.3648 -.1348 0 0 1
8.9300 8.9286 .0014 1 0 0
6.7600 6.7632 -.0032 1 1 1
5.0400 5.0329 .0071 -1 -1 1
4.3500 4.3471 .0029 2 0 1
4.0000 3.9963 .0037 1 2 0
3.8100 3.8093 .0007 -1 1 2
3.2900 3.2930 -.0030 -1 2 0
3.1100 3.1099 .0001 1 2 3
2.8800 2.8806 -.0006 -2 1 2
2.8100 2.8098 .0002 1 -1 3
2.7200 2.7210 -.0010 1 1 4
A= 9.4848 DA= .0005
B= 8.461 DB= .003
C= 10.913 DC= .002
GAMMA= 72.257 DGAMMA= .009
BETA = 77.096 DBETA = .008
ALPHA= 73.935 DALPHA= .007
V= 792.2
15. 39-1959
C18H6Cu3O12
Triklin
Dexp Dcal d(D) h k l
9.9300 9.9331 -.0031 0 1 1
9.6100 9.6275 -.0175 1 1 0
8.1200 8.1182 .0018 0 -1 1
6.4900 6.4934 -.0034 -1 0 1
5.7500 5.7519 -.0019 2 0 1
5.2200 5.2192 .0008 0 1 2
4.7900 4.7922 -.0022 -1 3 1
4.5900 4.5897 .0003 2 0 2
4.3100 4.3064 .0036 -2 0 1
4.2100 4.2096 .0004 -1 4 0
4.0600 4.0591 .0009 0 -2 2
3.9300 3.9292 .0008 3 0 1
A= 11.873 DA= .009
B= 19.051 DB= .004
C= 11.155 DC= .002
GAMMA= 83.40 DGAMMA= .04
BETA = 69.48 DBETA = .01
ALPHA= 74.98 DALPHA= .01
V= 2281.5
16. 39-1960
C18H6Cu3O12*5H2O
Triklin
Dexp Dcal d(D) h k l
10.7600 10.7283 .0317 1 0 0
7.0300 7.0450 -.0150 0 1 1
6.0500 6.0434 .0066 0 -1 1
5.3300 5.3268 .0032 1 1 1
5.2500 5.2439 .0061 -2 1 0
4.6700 4.6754 -.0054 0 1 2
4.6000 4.6008 -.0008 -1 0 2
4.3700 4.3695 .0005 -1 2 0
3.9800 3.9812 -.0012 1 -1 2
3.8300 3.8310 -.0010 -2 2 1
3.5200 3.5225 -.0025 0 2 2
3.3800 3.3796 .0004 3 -1 1
A= 11.198 DA= .002
B= 8.920 DB= .001
C= 10.274 DC= .009
GAMMA=106.643 DGAMMA= .004
BETA = 93.29 DBETA = .01
ALPHA= 80.545 DALPHA= .001
V= 969.8
17. 39-1961
C18H6Cu3O12
Triklin
Dexp Dcal d(D) h k l
13.4700 13.4932 -.0232 1 0 0
10.6500 10.6317 .0183 0 1 0
9.6100 9.5806 .0294 0 1 1
8.6600 8.6814 -.0214 -1 0 1
7.0000 7.0041 -.0041 2 0 1
6.0300 6.0309 -.0009 -1 -1 1
5.7500 5.7396 .0104 -1 0 2
5.3100 5.3159 -.0059 0 2 0
5.2500 5.2444 .0056 2 1 0
4.8800 4.8854 -.0054 0 0 3
4.6500 4.6487 .0013 2 -2 0
4.5700 4.5706 -.0006 3 -1 1
A= 14.3392 DA= .0003
B= 10.9759 DB= .0009
C= 15.5895 DC= .0008
GAMMA= 98.409 DGAMMA= .008
BETA = 73.778 DBETA = .003
ALPHA= 81.255 DALPHA= .001
V=2284.6
18. 39-1962
C18H6Cu3O12*3H2O
Triklin
Dexp Dcal d(D) h k l
10.0000 10.0014 -.0014 1 0 0
9.3700 9.3712 -.0012 0 1 1
8.4300 8.4307 -.0007 1 0 1
6.7600 6.7634 -.0034 1 1 0
5.3200 5.3198 .0002 -1 2 1
5.0700 5.0689 .0011 2 0 1
4.9000 4.9009 -.0009 -1 -1 1
4.3400 4.3391 .0009 -2 1 1
4.1900 4.1836 .0064 -1 0 2
3.5600 3.5589 .0011 1 3 1
3.4900 3.4908 -.0008 2 2 2
3.4100 3.4117 -.0017 -2 3 1
A= 10.541 DA= .002
B= 12.319 DB= .007
C= 11.252 DC= .009
GAMMA=100.02 DGAMMA= .02
BETA = 78.15 DBETA = .02
ALPHA= 73.96 DALPHA= .04
V= 1332.3
19. 39-1963
C18H6Cu3O12
Triklin
Dexp Dcal d(D) h k l
9.5900 9.5878 .0022 1 0 0
8.9300 8.9403 -.0103 1 1 0
8.1300 8.1074 .0226 1 1 1
6.5100 6.5181 -.0081 0 -1 1
5.6800 5.6735 .0065 2 1 1
5.1900 5.1866 .0034 1 2 1
4.7900 4.7939 -.0039 2 0 0
4.5300 4.5278 .0022 -1 1 1
4.2800 4.2802 -.0002 0 1 2
3.7100 3.7125 -.0025 -2 1 0
3.5200 3.5208 -.0008 1 3 1
3.4400 3.4407 -.0007 0 2 2
A= 11.550 DA= .003
B= 10.929 DB= .006
C= 10.173 DC= .001
GAMMA= 62.02 DGAMMA= .03
BETA = 66.31 DBETA = .03
ALPHA= 76.56 DALPHA= .03
V=1036.2