1. 46 -0834
CuAu2{CN}4
Triklin
Dexp Dcal d(D) h k l
10.1200 10.1353 -.0153 1 0 0
6.0100 6.0158 -.0058 0 1 1
5.1000 5.0972 .0028 0 -1 1
3.4090 3.4091 -.0001 -1 -2 1
3.3350 3.3372 -.0022 0 0 2
3.1620 3.1648 -.0028 1 1 2
3.0680 3.0679 .0001 1 3 0
3.0190 3.0188 .0002 -3 0 1
2.9380 2.9385 -.0005 -2 -2 1
2.8970 2.8943 .0027 -1 2 2
2.6870 2.6881 -.0011 -2 3 1
2.6280 2.6273 .0007 -1 -3 1
A= 10.137 DA= .001
B= 9.862 DB= .003
C= 6.780 DC= .002
GAMMA= 91.001 DGAMMA= .008
BETA = 90.392 DBETA = .004
ALPHA= 79.87 DALPHA= .02
V= 667.16
2. 46-0844
12C2O4*CuLa3*xH2O
Triklin
Dexp Dcal d(D) h k l
8.4250 8.4289 -.0039 1 0 0
6.7070 6.7086 -.0016 0 1 0
6.6560 6.6508 .0052 -1 0 1
5.2120 5.2118 .0002 0 -1 1
5.0360 5.0282 .0078 0 0 2
4.7930 4.7911 .0019 1 -1 1
4.3720 4.3703 .0017 0 1 2
4.2680 4.2625 .0055 -1 1 2
3.5450 3.5513 -.0063 1 -1 2
3.0670 3.0679 -.0009 1 -2 1
3.0360 3.0399 -.0039 -2 2 1
2.6580 2.6583 -.0003 3 -1 1
A= 8.7394 DA= .0007
B= 7.0335 DB= .001
C= 10.24 DC= .01
GAMMA=104.98 DGAMMA= .03
BETA = 95.791 DBETA = .006
ALPHA= 79.72 DALPHA= .09
V= 597.2
3. 46-0857
C2H2CuO4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.2100 5.2059 .0041 1 1 0
4.8000 4.8060 -.0060 -1 0 1
3.4680 3.4656 .0024 0 2 0
3.2290 3.2316 -.0026 -2 0 1
3.0650 3.0677 -.0027 0 2 1
2.8770 2.8811 -.0041 1 1 2
2.4820 2.4832 -.0012 2 2 1
2.3400 2.3381 .0019 1 2 2
2.0750 2.0748 .0002 3 1 2
2.0600 2.0597 .0003 -1 0 3
a= 7.933 b= 6.931 c= 6.634 beta= 83.7
da= .009 db=.001 dc=.007 dbeta=.1
V= 362.6
4. 46-0858
CCuO3
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.0200 5.0190 .0010 1 1 0
3.6850 3.6854 -.0004 1 1 2
2.8610 2.8610 -.0000 2 1 2
2.5150 2.5152 -.0002 3 0 1
2.4610 2.4608 .0002 2 1 3
2.1240 2.1244 -.0004 -2 0 4
1.6730 1.6730 .0000 3 3 0
1.5900 1.5899 .0001 -3 0 5
1.4780 1.4780 .0000 3 0 6
1.4210 1.4210 .0000 2 0 7
a= 7.69210 b= 6.6283 c= 10.524 beta= 87.37
da= .00002 db=.0003 dc=.001 dbeta=.01
V= 536.01
5. 46-0859
C4H8CuO4
Monoklin
Dexp Dcal d(D) h k l
6.9000 6.9205 -.0205 0 1 0
6.1600 6.1524 .0076 2 0 0
5.8600 5.8558 .0042 -1 0 2
5.3700 5.3683 .0017 2 0 2
3.5870 3.5890 -.0020 3 1 1
3.5270 3.5284 -.0014 3 1 0
2.3900 2.3902 -.0002 -3 2 2
2.3310 2.3305 .0005 4 2 1
2.2920 2.2920 -.0000 5 1 3
1.9660 1.9663 -.0003 6 1 0
a= 12.6123 b= 6.920 c= 15.37 beta= 77.3
da=.0006 db=.003 dc=.03 dbeta=.3
V= 1308
6. 46-0869
CuCl2Cx
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.1420 12.2149 -.0729 0 0 1
6.2809 6.2821 -.0012 0 2 0
4.2302 4.2329 -.0027 -1 2 1
3.1622 3.1614 .0008 2 2 0
2.5231 2.5236 -.0005 -1 4 2
2.1222 2.1219 .0003 1 5 3
1.8173 1.8174 -.0001 2 6 0
1.5888 1.5888 .0000 3 6 0
1.4116 1.4117 -.0001 2 7 5
1.2765 1.2765 .0000 -1 1 9
1.1605 1.1605 .0000 6 4 3
a= 7.51 b= 12.56 c= 12.54 beta= 76.8
da=.01 db=.02 dc=.06 dbeta=.3
V= 1153
7. 46-0888
C6H6Ba2CuO12*4H2O
Triklin
Dexp Dcal d(D) h k l
6.3400 6.3347 .0053 -1 1 0
5.6050 5.6034 .0016 -1 -1 2
4.9880 4.9875 .0005 -1 -2 2
4.0890 4.0860 .0030 1 -2 1
3.8090 3.8101 -.0011 -1 -3 2
3.7060 3.7060 .0000 0 2 1
3.4840 3.4831 .0009 0 -3 2
3.4260 3.4260 -.0000 2 -1 1
3.3060 3.3058 .0002 0 3 0
3.2620 3.2619 .0001 0 -2 3
3.0670 3.0668 .0002 -2 0 3
2.8800 2.8807 -.0007 1 -3 2
A= 10.2875 DA= .0008
B= 11.6633 DB= .0003
C= 11.265 DC= .001
GAMMA= 70.9244 DGAMMA= .0002
BETA =117.978 DBETA = .004
ALPHA=121.180 DALPHA= .001
V=1015.4
8. 46-1205
Ag0.6Cu0.41
Rombik
Groupa 32, 55
Dexp. Dcal. d(D) h k l
6.0546 6.0512 .0034 1 1 0
3.6378 3.6497 -.0119 0 0 1
3.1649 3.1639 .0010 1 3 0
2.2337 2.2337 -.0000 3 2 0
1.9042 1.9052 -.0010 3 2 1
1.5806 1.5808 -.0002 1 3 2
1.4525 1.4533 -.0008 3 1 2
1.3608 1.3608 .0000 5 1 1
a= 7.405 b=10.50 c= 3.65
da= .002 db= .01 dc= .01
V= 283.7
9. 46-1524
C18H30Cl4Cu2N4S2*4H2O
Triklin
Dexp Dcal d(D) h k l
4.8183 4.8201 -.0018 1 -1 1
3.9410 3.9435 -.0025 0 -1 2
3.3761 3.3735 .0026 1 0 3
2.8652 2.8644 .0008 0 0 4
2.7897 2.7965 -.0068 1 -2 1
2.7027 2.6997 .0030 -1 2 1
2.6194 2.6196 -.0002 0 2 0
2.5310 2.5324 -.0014 0 2 1
2.4730 2.4731 -.0001 0 1 4
2.3245 2.3258 -.0013 2 1 0
2.2814 2.2802 .0012 2 -1 4
2.2127 2.2145 -.0018 1 1 4
A= 6.7972 DA= .0006
B= 5.6787 DB= .0003
C= 11.520 DC= .006
GAMMA=112.59 DGAMMA= .02
BETA = 84.47 DBETA = .01
ALPHA= 94.18 DALPHA= .01
V=408.7
10. 46-1525
C22H20CuN10S4
Triklin
Dexp Dcal d(D) h k l
9.4082 9.4108 -.0026 -1 1 0
8.4249 8.4222 .0027 1 1 1
6.5346 6.5424 -.0078 0 -1 1
6.1086 6.1017 .0069 2 0 1
5.2771 5.2836 -.0065 1 2 0
5.0965 5.1000 -.0035 0 1 2
4.7830 4.7824 .0006 1 2 2
4.4175 4.4159 .0016 -2 0 1
4.2502 4.2450 .0052 1 -1 2
4.0583 4.0589 -.0006 2 2 0
3.9171 3.9192 -.0021 -1 -2 1
3.8095 3.8086 .0009 1 3 0
A= 12.74804 DA= .00005
B= 13.60078 DB= .00006
C= 10.76014 DC= .00008
GAMMA= 91.3699 DGAMMA= .0002
BETA = 71.4479 DBETA = .0003
ALPHA= 70.28789 DALPHA= .00002
V=1646.6
11. 46-1590
C14H14CuO6S2*5H2O
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
12.8840 13.3012 -.4172 0 0 1
11.1900 11.1710 .0190 -1 0 1
6.4167 6.4176 -.0009 1 1 1
5.6801 5.6712 .0089 2 1 0
5.4711 5.4639 .0072 0 1 2
4.7702 4.7713 -.0011 1 1 2
4.3114 4.3061 .0053 -3 1 1
4.1907 4.1907 .0000 1 2 1
a= 14.538 b= 9.584000 c= 13.7437 beta= 104.57
da= 7.319 db= .0003 dc=.0003 dbet= .01
V=1856.1
12. 46-1591
C12H22CuO12S2
Monoklin
Dexp Dcal d(D) h k l
11.6310 11.6107 .0203 0 1 0
5.6442 5.6403 .0039 2 1 0
4.1140 4.1127 .0013 1 0 3
5.5048 5.5078 -.0030 2 1 1
5.0107 5.0107 -.0000 1 2 1
4.7958 4.7970 -.0012 -2 1 1
3.9001 3.9011 -.0010 -2 2 1
3.7697 3.7716 -.0019 2 2 2
3.7077 3.7071 .0006 1 3 0
3.4795 3.4792 .0003 3 2 1
a= 13.187 b= 11.610720 c= 12.413 beta= 78.13
da= .004 db= .002 dc= .009 dbeta= .06
V= 1860.0
13. 46-1592
C12H10CuO6S2*4H2O
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
12.9980 12.8462 .1518 0 0 1
11.4810 11.5617 -.0807 0 1 0
5.7909 5.7809 .0100 0 2 0
5.0965 5.0933 .0032 1 2 1
4.9828 4.9885 -.0057 2 2 0
4.8742 4.8806 -.0064 2 1 2
4.5988 4.5967 .0021 3 0 2
4.1140 4.1145 -.0005 3 2 1
3.7540 3.7538 .0002 4 2 0
3.7078 3.7072 .0006 4 1 2
3.5900 3.5900 -.0000 2 3 0
a=19.74 b=11.562 c=12.85
da= .02 db= .002 dc= .02
v=2932
14. 46-1644
C4H6CuO6
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
5.6600 5.6578 .0022 1 0 1
4.7800 4.7900 -.0100 1 1 0
3.3510 3.3401 .0109 3 0 0
3.2360 3.2431 -.0071 1 0 2
2.5030 2.5051 -.0021 4 0 0
2.2290 2.2279 .0011 1 0 3
1.8810 1.8811 -.0001 5 1 0
1.6060 1.6059 .0001 0 3 2
1.4510 1.4510 .0000 0 2 4
1.4360 1.4360 -.0000 1 2 4
a=10.020 b= 5.45 c= 6.855
da= .003 db= .01 dc= .006
V= 374.6
15. 46-1645
С4H2CuO6
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
5.8400 5.8494 -.0094 0 1 0
5.1300 5.1354 -.0054 1 1 0
3.3310 3.3254 .0056 -2 0 1
3.2350 3.2300 .0050 1 1 1
2.9240 2.9247 -.0007 0 2 0
2.8270 2.8217 .0053 1 2 0
2.4350 2.4376 -.0026 4 1 0
2.3970 2.3968 .0002 0 2 1
2.1960 2.1962 -.0002 -2 2 1
1.8260 1.8260 .0000 -5 1 1
a= 10.727 b= 5.8494 c= 4.183 beta= 90.966
da= .007 db=.0004 dc=.006 dbet=.009
V=262.6
16. 46-1646
C6H10CuO6*2H2O
Tetragon
Groupa 105,112,131
Dexp. Dcal. d(D) h k l
11.4800 11.7370 -.2570 0 0 1
3.9600 3.9464 .0136 2 0 2
3.7040 3.7011 .0029 2 1 2
3.3680 3.3724 -.0044 3 1 0
2.8700 2.8681 .0019 3 2 1
2.5250 2.5259 -.0009 4 1 1
2.1320 2.1329 -.0009 5 0 0
2.0570 2.0590 -.0020 5 1 1
1.6920 1.6921 -.0001 3 1 6
1.5900 1.5898 .0002 6 3 0
a= 10.664 c= 11.74
da= .001 dc= .05
v=1335
17. 46-1647
C6H10CuO6
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
7.3500 7.3521 -.0021 0 0 2
5.2400 5.2303 .0097 0 3 0
3.9110 3.9227 -.0117 0 4 0
3.3290 3.3288 .0002 0 2 4
2.6350 2.6371 -.0021 1 5 0
2.6170 2.6152 .0018 0 6 0
2.3710 2.3721 -.0011 2 1 1
2.3240 2.3232 .0008 2 2 0
2.2058 2.2054 .0004 2 3 0
2.0360 2.0358 .0002 1 7 0
a= 4.8645 b=15.69 c=14.70
da= .0001 db= .01 dc= .01
V=1122.3
18. 46-1648
C6H6CuO6
Rombik
GRUPA 3
Dexp. Dcal. d(D) h k l
9.3600 9.3500 .0100 1 0 1
8.1300 8.1317 -.0017 0 1 1
5.4000 5.4050 -.0050 -2 0 1
4.6700 4.6750 -.0050 2 0 2
4.3600 4.3630 -.0030 2 1 2
2.7020 2.7025 -.0005 -4 0 2
2.3450 2.3457 -.0007 5 1 3
2.1750 2.1750 .0000 3 4 3
2.1440 2.1440 .0000 3 5 0
1.7170 1.7170 -.0000 -4 0 5
a= 13.876 b= 12.147 c= 11.105 beta= 80.29
da=.008 db=.005 dc=.006 dbet=.04
V=1844
19. 46-1689
C8H4CuMnO3
Rombik
Groupa 16,25, 47
Dexp. Dcal. d(D) h k l
10.4100 10.6721 -.2621 1 0 0
6.8120 6.8796 -.0676 0 1 1
6.5700 6.6221 -.0521 1 0 1
5.8970 5.9316 -.0346 0 2 0
4.8520 4.8538 -.0018 0 2 1
4.4140 4.4183 -.0043 1 2 1
4.2080 4.2164 -.0084 2 1 1
3.5920 3.5906 .0014 2 2 1
3.5510 3.5574 -.0064 3 0 0
3.4400 3.4398 .0002 0 2 2
3.2810 3.2784 .0026 3 0 1
3.0520 3.0508 .0012 3 2 0
a=10.672 b=11.863 c= 8.444
da= .003 db= .004 dc= .004
V=1069.1
Triklin
Dexp Dcal d(D) h k l
10.4100 10.3953 .0147 0 0 1
6.8120 6.8139 -.0019 1 1 0
6.5700 6.5667 .0033 0 -2 1
5.8970 5.8975 -.0005 -1 1 0
4.8520 4.8521 -.0001 1 0 2
4.4140 4.4143 -.0003 1 1 2
4.2080 4.2088 -.0008 1 -2 2
3.5920 3.5913 .0007 2 1 0
3.5510 3.5517 -.0007 1 -3 2
3.4400 3.4414 -.0014 0 4 0
3.2810 3.2807 .0003 2 1 2
3.0520 3.0488 .0032 1 -3 3
A= 7.409 DA= .001
B= 14.3391 DB= .0009
C= 11.056 DC= .003
GAMMA= 83.35 DGAMMA= .02
BETA = 76.609 DBETA = .009
ALPHA=102.78 DALPHA= .05
V= 1096.9
20. 46-1691
C16H8AgCuMn2O6*C6H6
Triklin
Dexp Dcal d(D) h k l
12.3600 12.3618 -.0018 1 0 0
7.4700 7.4689 .0011 0 1 0
6.2000 6.1916 .0084 0 0 1
5.5500 5.5328 .0172 1 0 1
4.7760 4.7602 .0158 1 -1 1
4.1850 4.1849 .0001 2 -1 0
4.1190 4.1206 -.0016 3 0 0
3.9110 3.9109 .0001 -1 -2 1
3.4290 3.4280 .0010 3 0 1
3.3070 3.3068 .0002 1 -2 1
3.2210 3.2217 -.0007 0 -1 2
3.0960 3.0958 .0002 0 0 2
A= 13.024 DA= .003
B= 8.248 DB= .002
C= 6.5228 DC= .0004
GAMMA= 71.65 DGAMMA= .01
BETA = 95.77 DBETA = .01
ALPHA=108.344 DALPHA= .006
V= 631.3
21. 46-1692
C16H8AgCuMn2O6*C6H6
Triklin
Dexp Dcal d(D) h k l
10.6200 10.6219 -.0019 0 1 1
6.8600 6.8768 -.0168 0 -1 1
6.6100 6.6116 -.0016 1 0 0
5.9850 5.9897 -.0047 1 1 1
5.2180 5.2126 .0054 -1 0 1
4.8940 4.8978 -.0038 1 1 2
4.4450 4.4457 -.0007 1 2 2
4.2380 4.2317 .0063 0 3 2
3.6190 3.6218 -.0028 0 0 3
3.5710 3.5713 -.0003 -1 -2 1
3.2840 3.2856 -.0016 2 1 1
3.0700 3.0699 .0001 1 -1 3
A= 6.743 DA= .001
B= 13.584 DB= .002
C= 12.14 DC= .01
GAMMA= 88.99 DGAMMA= .02
BETA = 79.28 DBETA = .03
ALPHA= 65.88 DALPHA= .03
V= 995.1
22. 46-1703
C6H20CuN4O6
Triklin
Dexp Dcal d(D) h k l
6.9380 6.9381 -.0001 1 0 0
6.1803 6.1745 .0058 0 0 1
5.2220 5.2212 .0008 0 -2 1
4.2070 4.2010 .0060 0 2 1
3.7969 3.7963 .0006 2 -1 1
3.5946 3.5947 -.0001 -1 -2 1
3.4179 3.4209 -.0030 1 0 2
3.1204 3.1183 .0021 2 -1 2
2.7885 2.7893 -.0008 -1 -4 1
2.6238 2.6230 .0008 0 2 2
2.5600 2.5580 .0020 3 0 1
2.4498 2.4503 -.0005 3 -1 2
A= 7.728 DA= .002
B= 14.3982 DB= .0008
C= 7.043 DC= .002
GAMMA= 95.761 DGAMMA= .007
BETA = 63.876 DBETA = .007
ALPHA=103.71 DALPHA= .01
V= 683.6
23. 46-1704
C6H16CuN4O4
Triklin
Dexp Dcal d(D) h k l
6.9689 6.9722 -.0033 -1 0 1
6.2531 6.2470 .0061 -1 1 1
5.2389 5.2355 .0034 1 -1 1
4.8535 4.8461 .0074 -2 1 1
4.6081 4.5955 .0126 2 -1 1
4.2001 4.1995 .0006 -1 1 2
3.8031 3.8086 -.0055 3 -1 1
3.6069 3.6073 -.0004 -2 2 1
3.4367 3.4369 -.0002 -1 2 2
3.2985 3.2994 -.0009 0 -2 1
3.1419 3.1428 -.0009 4 -1 1
2.8053 2.8050 .0003 3 1 3
A= 13.940 DA= .002
B= 8.4057 DB= .0006
C= 9.650 DC= .001
GAMMA= 93.69 DGAMMA= .01
BETA = 80.730 DBETA = .003
ALPHA= 73.05 DALPHA= .01
V=1059.9
24. 46-1705
C4H8CuN2O4
Triklin
Dexp Dcal d(D) h k l
9.6694 9.6730 -.0036 1 0 0
9.1114 9.1097 .0017 0 0 1
6.2106 6.2073 .0033 0 -2 1
5.8665 5.8646 .0019 -1 2 0
5.5909 5.5927 -.0018 1 1 1
5.1853 5.1846 .0007 1 -1 1
5.0385 5.0314 .0071 1 2 1
4.8334 4.8365 -.0031 2 0 0
4.5896 4.5935 -.0039 -1 1 2
4.0951 4.0963 -.0012 -1 2 2
4.0004 4.0007 -.0003 0 -2 2
3.9084 3.9097 -.0013 0 4 1
A= 10.668 DA= .003
B= 17.596 DB= .005
C= 9.8403 DC= .0005
GAMMA= 77.78 DGAMMA= .01
BETA =112.21 DBETA = .01
ALPHA= 93.84 DALPHA= .01
V= 1671.11
26. 46-1759
{C6H2СuO4}n
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
8.2600 8.2483 .0117 1 0 0
5.9000 5.8714 .0286 0 2 0
5.1900 5.1737 .0163 0 2 1
3.6500 3.6477 .0023 0 0 3
3.1800 3.1835 -.0035 0 3 2
2.9000 2.9005 -.0005 1 2 3
2.6700 2.6686 .0014 0 3 3
2.4900 2.4900 .0000 3 2 0
2.2960 2.2963 -.0003 0 5 1
1.9900 1.9902 -.0002 1 2 5
a= 8.248 b=11.743 c=10.943
da= .005 db= .001 dc= .001
V=1059.9
1. 47-0117
alfa-Ba2Cu3Ox
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.3800 4.3854 -.0054 -1 1 1
3.9800 3.9791 .0009 1 1 1
3.6500 3.6567 -.0067 0 2 1
3.4700 3.4689 .0011 1 0 2
3.0800 3.0815 -.0015 0 2 2
2.8400 2.8396 .0004 -2 0 1
2.6400 2.6410 -.0010 -2 0 2
2.2400 2.2403 -.0003 -2 1 3
2.1500 2.1499 .0001 1 0 4
2.0100 2.0093 .0007 -2 2 3
1.9700 1.9699 .0001 -1 0 5
1.9300 1.9294 .0006 0 4 1
1.7800 1.7818 .0018 2 4 1
1.6900 1.6903 -.0003 0 4 3
a= 5.7274 b= 7.868 c= 10.034 beta= 99.00
da= .0007 db=.003 dc=.01 dbeta=.06
V= 446.8
Triklin
Dexp Dcal d(D) h k l
4.3800 4.3810 -.0010 0 1 1
3.9800 3.9758 .0042 0 -1 1
3.6500 3.6532 -.0032 -1 1 0
3.4700 3.4737 -.0037 1 1 1
3.0800 3.0754 .0046 0 -2 1
2.8400 2.8414 -.0014 -1 1 1
2.6400 2.6409 -.0009 -1 -2 1
2.2400 2.2413 -.0013 -1 -3 1
2.1500 2.1494 .0006 1 4 1
2.0100 2.0101 -.0001 2 3 0
1.9700 1.9702 -.0002 1 3 2
1.9300 1.9291 .0009 -2 0 1
1.7800 1.7799 .0001 2 4 1
1.6900 1.6900 -.0000 2 0 2
A= 4.570 DA= .002
B= 9.356 DB= .007
C= 4.765 DC= .003
GAMMA= 76.10 DGAMMA= .03
BETA = 82.80 DBETA = .02
ALPHA= 81.73 DALPHA= .03
V= 194.8
2. 47-0118
beta-Ba2Cu3Ox
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.3800 3.3815 -.0015 -2 1 1
3.1600 3.1604 -.0004 0 1 2
3.0900 3.0903 -.0003 -1 1 2
3.0800 3.0792 .0008 -2 0 3
3.0000 3.0009 -.0009 -5 0 1
2.9200 2.9199 .0001 -2 1 2
2.7300 2.7294 .0006 3 1 2
2.5100 2.5103 -.0003 1 0 4
2.4100 2.4099 .0001 -5 1 1
a= 15.8324 b= 4.044 c= 10.134 beta= 88.61
da= .0003 db=.001 dc=.005 dbeta=.06
V= 648.6
3. 47-0119
Ba3Cu2Ox
Rombik
Grupa 16
Dexp. Dcal. d(D) h k l
3.1900 3.1848 .0052 3 0 0
3.0600 3.0633 -.0033 3 1 0
2.9400 2.9407 -.0007 2 3 0
2.8000 2.7986 .0014 0 4 0
2.3900 2.3899 .0001 1 1 2
2.3000 2.3059 -.0059 0 2 2
2.1800 2.1798 .0002 1 5 0
2.0800 2.0766 .0034 2 2 2
1.9500 1.9510 -.0010 3 1 2
1.7500 1.7499 .0001 3 3 2
1.7000 1.7008 -.0008 5 3 0
1.6600 1.6590 .0010 4 2 2
a= 9.554 b=11.1943 c= 5.061
da= .002 db= .0004 dc= .001
V= 541.3
Trikin
Dexp Dcal d(D) h k l
3.1900 3.1911 -.0011 0 1 1
3.0600 3.0597 .0003 1 1 1
2.9400 2.9400 .0000 -1 -1 1
2.8000 2.7998 .0002 0 0 2
2.3900 2.3901 -.0001 -2 -1 1
2.3000 2.3004 -.0004 0 1 2
2.1800 2.1822 -.0022 -2 1 0
2.0800 2.0781 .0019 -1 1 2
1.9500 1.9497 .0003 -3 0 1
1.7500 1.7498 .0002 0 -2 1
1.7000 1.6997 .0003 -1 2 0
1.6600 1.6597 .0003 3 0 2
A= 6.357 DA= .006
B= 3.8344 DB= .0006
C= 5.607 DC= .001
GAMMA= 78.11 DGAMMA= .01
BETA = 89.869 DBETA = .006
ALPHA= 87.086 DALPHA= .009
V= 133.6
4. 47-0238
BaCuO2.5
Triklin
Dexp Dcal d(D) h k l
5.7200 5.7187 .0013 1 0 0
3.7300 3.7324 -.0024 0 1 2
3.6700 3.6724 -.0024 1 0 2
3.5000 3.5047 -.0047 0 0 2
3.4200 3.4214 -.0014 1 1 2
3.0900 3.0888 .0012 0 2 0
2.8600 2.8593 .0007 2 0 0
2.6600 2.6616 -.0016 -1 2 2
2.6400 2.6399 .0001 -2 2 0
2.5900 2.5897 .0003 1 2 2
2.2600 2.2581 .0019 1 2 3
2.2230 2.2226 .0004 0 3 1
A= 6.4015 DA= .0005
B= 6.942 DB= .002
C= 7.911 DC= .003
GAMMA=105.11 DGAMMA= .02
BETA = 74.01 DBETA = .02
ALPHA= 73.252 DALPHA= .005
V=300.5
5. 47-0241
YCu2O2.5
Triklin
Dexp Dcal d(D) h k l
4.3700 4.3700 -.0000 -2 1 0
4.3500 4.3476 .0024 -1 -1 1
4.0000 3.9981 .0019 1 -3 1
3.9000 3.8985 .0015 0 -3 1
3.4600 3.4545 .0055 1 1 2
3.4200 3.4170 .0030 1 4 1
3.0900 3.0892 .0008 -2 -1 1
3.0800 3.0814 -.0014 1 3 2
3.0700 3.0706 -.0006 -1 1 2
3.0500 3.0523 -.0023 1 -2 2
2.9100 2.9101 -.0001 -3 1 0
2.9010 2.9023 -.0013 1 5 1
A= 8.875 DA= .008
B= 17.08 DB= .03
C= 7.127 DC= .004
GAMMA=101.15 DGAMMA= .05
BETA = 80.15 DBETA = .01
ALPHA= 80.32 DALPHA= .01
V= 1022
6. 47-0612
YBa8Cu4{CO3}0.2O12.08
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
8.0500 8.0723 -.0223 0 0 1
4.0900 4.0865 .0035 0 1 0
4.0300 4.0362 -.0062 0 0 2
2.8740 2.8716 .0024 0 1 2
2.8600 2.8716 -.0116 0 1 2
2.3420 2.3427 -.0007 1 1 2
2.2420 2.2414 .0006 1 0 3
2.0400 2.0432 -.0032 0 2 0
2.0180 2.0181 -.0001 0 0 4
1.8150 1.8148 .0002 2 1 0
1.6650 1.6624 .0026 1 2 2
1.6540 1.6552 -.0012 2 1 2
1.5050 1.5046 .0004 2 1 3
a= 4.051 b= 4.09 c= 8.07
da= .005 db= .01 dc= .01
V= 133.6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.0500 8.0243 .0257 0 0 1
4.0900 4.0910 -.0010 -1 1 1
4.0300 4.0357 -.0057 1 1 1
2.8740 2.8764 -.0024 -1 2 1
2.8600 2.8570 .0030 1 2 1
2.3420 2.3418 .0002 -1 1 3
2.2420 2.2424 -.0004 0 3 1
2.0400 2.0409 -.0009 3 0 1
2.0180 2.0178 .0002 2 2 2
1.8150 1.8150 -.0000 3 2 0
1.6650 1.6650 .0000 -3 2 2
1.6540 1.6545 -.0005 -1 4 1
1.5050 1.5045 .0005 2 4 1
a= 6.3675 b= 7.006 c= 8.026 beta= 91.20
da= .0008 db=.003 dc=.002 dbeta=.04
V= 358.0
CuPO3F
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
5.4100 5.4076 .0024 0 1 1
4.3700 4.3706 -.0006 -1 0 1
4.2000 4.2015 -.0015 1 1 1
3.0100 3.0100 .0000 1 1 2
2.8900 2.8903 -.0003 2 0 1
2.0100 2.0099 .0001 -1 3 2
1.9900 1.9900 -.0000 3 0 1
a= 6.0575 b= 8.283 c= 7.183 beta= 83.653
da= .0006 db=.001 dc=.001 dbet=.008
V=358.2
7. 47-0681
Cu4MgO5
Rombik
Groupa 34,58
Dexp. Dcal. d(D) h k l
2.7100 2.7097 .0003 0 0 2
2.5080 2.5080 .0000 1 1 1
2.2980 2.2989 -.0009 3 0 1
1.9510 1.9505 .0005 3 1 0
1.5830 1.5830 .0000 3 1 2
1.4940 1.4940 -.0000 1 2 0
a= 7.6158 b= 3.04727 c= 5.419305
da= .0002 db= .00007 dc= .000005
V= 125.77
8. 47-0729
Cu-Sr-Bi-O
Dexp Dcal d(D) h k l
11.9000 12.1988 -.2988 1 0 0
4.0600 4.0591 .0009 2 1 0
3.4400 3.4418 -.0018 1 1 4
3.1400 3.1394 .0006 -2 1 3
3.0560 3.0557 .0003 -3 0 3
2.9960 2.9973 -.0013 1 0 6
2.6880 2.6872 .0008 0 2 1
2.5160 2.5169 -.0009 2 0 7
2.4400 2.4398 .0002 5 0 0
2.3130 2.3129 .0001 0 2 4
2.1300 2.1300 .0000 3 0 8
2.0390 2.0389 .0001 0 1 8
2.0210 2.0202 .0008 4 1 7
1.9200 1.9199 .0001 -4 2 2
1.7520 1.7524 -.0004 -4 2 4
a= 12.475 b= 5.438 c= 17.993 beta= 77.91
da= .001 db=.001 dc=.002 dbeta=.02
V= 1193.6
Triklin
Dexp Dcal d(D) h k l
11.9000 11.9066 -.0066 1 0 0
4.0600 4.0595 .0005 -1 -1 1
3.4400 3.4391 .0009 2 1 1
3.1400 3.1403 -.0003 3 -1 1
3.0560 3.0562 -.0002 -4 2 0
2.9960 2.9963 -.0003 0 6 0
2.6880 2.6884 -.0004 -3 -2 1
2.5160 2.5162 -.0002 -3 -3 1
2.4400 2.4400 .0000 4 3 0
2.3130 2.3131 -.0001 1 -8 0
2.1300 2.1301 -.0001 0 2 2
2.0390 2.0389 .0001 -3 7 1
2.0210 2.0211 -.0001 -1 3 2
1.9200 1.9199 .0001 5 4 0
1.7520 1.7520 -.0000 -7 3 0
A= 12.3083 DA= .0004
B= 18.678 DB= .001
C= 4.5429 DC= .0003
GAMMA=104.469 DGAMMA= .003
BETA = 85.786 DBETA = .003
ALPHA= 97.12 DALPHA= .01
V= 1002.52
9. 47-0754
Bi2Ca0.5Sr2.5Cu3Ox
Triklin
Dexp Dcal d(D) h k l
5.2690 5.2796 -.0106 0 1 1
4.1090 4.1128 -.0038 0 -1 1
3.4520 3.4521 -.0001 2 1 2
3.3310 3.3326 -.0016 0 1 2
3.0830 3.0826 .0004 2 2 0
3.0350 3.0352 -.0002 2 2 2
3.0090 3.0094 -.0004 2 0 2
2.9500 2.9486 .0014 -2 1 0
2.8540 2.8580 -.0040 3 2 1
2.7060 2.7063 -.0003 3 2 2
2.6860 2.6864 -.0004 -1 1 2
A= 9.470 DA= .008
B= 7.262 DB= .004
C= 7.5574 DC= .0008
GAMMA= 62.66 DGAMMA= .04
BETA = 67.19 DBETA = .02
ALPHA= 67.73 DALPHA= .02
V= 412.6
10. 47-0794
Cu0.67Al0.33{OH}2{SO4}0.15{CO3}0.015*0.5H2O
Groupa 21, 35, 38, 65
Rombik
Dexp. Dcal. d(D) h k l
8.5800 8.5780 .0020 1 0 0
4.2800 4.2890 -.0090 2 0 0
2.7800 2.7805 -.0005 0 2 0
2.6000 2.6081 -.0081 0 1 1
1.5700 1.5700 .0000 0 3 1
1.4600 1.4600 -.0000 5 2 0
a= 8.578 b= 5.561 c= 2.953
da= .001 db= .001 dc= .001
V= 140.86
11. 47-1152
Ag0.8Cu0.21
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.7811 5.7794 .0017 1 1 0
4.5389 4.5430 -.0041 0 1 1
3.7313 3.7296 .0017 2 1 0
2.5186 2.5191 -.0005 1 3 0
2.2845 2.2832 .0013 -3 1 2
2.2450 2.2454 -.0004 3 0 1
1.9491 1.9498 -.0007 -4 1 2
1.8651 1.8648 .0003 4 2 0
1.6162 1.6162 .0000 2 3 2
1.4828 1.4828 .0000 2 5 0
a= 8.902814 b= 7.9167 c= 5.840 beta= 108.21
da=.005 db=.0002 dc= .009 dbeta=.09
V= 391.0
12. 47-1153
Ag0.7Cu0.31
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
3.6514 3.6535 -.0021 3 0 0
3.1570 3.1512 .0058 2 3 0
2.2341 2.2353 -.0012 3 2 1
1.9053 1.9052 .0001 5 3 0
1.7461 1.7462 -.0001 5 4 0
1.6043 1.6043 .0000 0 1 2
1.5804 1.5806 -.0002 2 7 0
1.4508 1.4505 .0003 7 3 0
1.3823 1.3823 .0000 3 3 2
1.3604 1.3605 -.0001 8 1 0
a=10.9606 b=11.5548 c= 3.2390
da= .0003 db= .0003 dc= .00001
v= 410.33
13. 47-1959
C14H12Cl2CuN4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
15.0920 14.8502 .2418 0 0 1
13.6850 13.2974 .3876 1 0 0
7.5597 7.5264 .0333 1 1 0
6.8667 6.8800 -.0133 1 1 1
6.2947 6.3204 -.0257 2 0 1
6.2080 6.2116 -.0036 -1 0 2
5.8344 5.8440 -.0096 -2 0 1
5.7218 5.7604 -.0386 0 1 2
5.2192 5.2333 -.0141 2 0 2
4.9537 4.9501 .0036 0 0 3
4.7988 4.8068 -.0080 1 0 3
4.5720 4.5647 .0073 0 2 0
a= 13.37 b= 9.129 c= 14.932 beta= 84.0
da=.01 db=.009 dc=.02 dbeta=.2
V= 1812.8
Triklin
Dexp Dcal d(D) h k l
15.0920 15.1009 -.0089 1 0 0
13.6850 13.7013 -.0163 0 1 0
7.5597 7.5511 .0086 -1 0 1
6.8667 6.8648 .0019 0 -1 1
6.2947 6.2993 -.0046 -1 2 1
6.2080 6.2287 -.0207 -2 2 0
5.8344 5.8317 .0027 2 1 0
5.7218 5.7168 .0050 2 -1 1
5.2192 5.2237 -.0045 1 2 1
4.9537 4.9535 .0002 0 -2 1
4.7988 4.7894 .0094 2 -2 1
4.5720 4.5671 .0049 0 3 0
A= 16.049 DA= .003
B= 14.902 DB= .009
C= 9.22868 DC= .00009
GAMMA=109.56 DGAMMA= .01
BETA = 91.18 DBETA = .03
ALPHA= 77.686 DALPHA= .001
V= 2028.9
14. 47-1960
C14H12Br2CuN4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.9380 12.103 -.1654 0 1 0
10.9240 11.073 -.1495 1 0 0
9.0439 9.0278 .0161 0 1 1
8.1698 8.1700 -.0002 1 1 0
5.5241 5.5259 -.0018 0 2 1
4.9750 4.9788 -.0038 2 1 1
4.3643 4.3567 .0076 1 2 2
4.2322 4.2327 -.0005 0 1 3
4.0542 4.0549 -.0007 2 2 1
3.8343 3.8358 -.0015 2 0 3
3.6526 3.6566 -.0040 2 1 3
3.5040 3.5023 .0017 3 0 2
a= 11.238 b= 12.103 c= 13.7558 beta= 80.16
da= .009 db=.009 dc= .0005 dbeta=.05
V= 1843.6
15. 47-1984
C-H-Cu-N-O-S
Triklin
Dexp Dcal d(D) h k l
7.6105 7.6112 -.0007 1 1 0
6.7972 6.7878 .0094 0 1 1
6.4206 6.4170 .0036 0 -1 1
4.9612 4.9519 .0093 0 2 0
4.5989 4.5940 .0049 -1 -2 1
4.4343 4.4281 .0062 0 2 1
4.1219 4.1235 -.0016 0 1 2
3.9809 3.9787 .0022 -2 0 2
3.9332 3.9372 -.0040 -2 -2 1
3.8062 3.8056 .0006 2 2 0
3.4421 3.4395 .0026 2 0 1
3.1749 3.1752 -.0003 2 2 1
A= 9.852 DA= .002
B= 10.257 DB= .002
C= 9.5959 DC= .0004
GAMMA= 75.26 DGAMMA= .05
BETA =112.70 DBETA = .01
ALPHA= 92.74 DALPHA= .01
V=864.0
16. 47-2002
C7H6Cl2CuN2
Rombik
Groupa 36,40, 63
Dexp. Dcal. d(D) h k l
12.7000 12.6675 .0325 0 1 1
10.0370 10.0550 -.0180 0 0 2
7.1667 7.1507 .0160 1 1 1
6.3032 6.3337 -.0305 0 2 2
5.9375 5.9379 -.0004 1 2 0
5.0418 5.0419 -.0001 1 1 3
a= 8.663 b=16.310 c=20.110
da= .001 db= .001 dc= .001
V=2841.4
17. 47-2071
C34H28Cl4CuN10S2
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
4.3602 4.3593 .0009 2 0 1
3.4819 3.4800 .0019 0 1 1
3.2938 3.2894 .0044 3 0 1
2.5412 2.5418 -.0006 3 0 2
2.2994 2.2994 .0000 4 1 0
2.2994 2.2994 .0000 4 1 0
a=11.209 b= 4.023 c= 6.936
da= .001 db= .001 dc= .001
V= 312.8
18. 47-2145
C-H-Cu-N-O
Triklin
Dexp Dcal d(D) h k l
13.2400 13.1865 .0535 0 1 0
10.4000 10.4057 -.0057 1 0 0
8.5600 8.5571 .0029 -1 1 0
6.3900 6.3877 .0023 -1 0 1
5.5300 5.5314 -.0014 1 -1 1
4.4000 4.3984 .0016 1 -2 1
4.0000 4.0021 -.0021 0 0 2
3.7200 3.7180 .0020 1 0 2
3.6000 3.6020 -.0020 2 -2 1
3.4320 3.4324 -.0004 -3 1 0
3.3420 3.3425 -.0005 -1 -3 1
3.2280 3.2286 -.0006 -1 4 0
A= 10.454 DA= .008
B= 13.425 DB= .001
C= 8.116 DC= .001
GAMMA= 95.44 DGAMMA= .08
BETA = 91.69 DBETA = .08
ALPHA= 80.53 DALPHA= .05
V= 1118.3
19. 47-2240
C10H8CuO6*8H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.4000 11.8141 -.4141 1 0 0
9.3000 9.2586 .0414 1 0 1
5.8000 5.7977 .0023 1 1 0
5.4000 5.4033 -.0033 1 1 1
5.2000 5.2050 -.0050 0 0 2
4.6000 4.5960 .0040 -2 0 1
4.1000 4.0997 .0003 0 1 2
3.8000 3.8001 -.0001 2 1 2
3.7000 3.7003 -.0003 3 0 2
2.9000 2.8989 .0011 2 2 0
2.4000 2.3995 .0005 2 2 3
2.0000 2.0003 -.0003 2 3 2
a= 12.35 b= 6.654 c= 10.8796 beta=73.1
da=.04 db= .001 dc=.0009 dbeta=.2
V= 855.3
Triklin
Dexp Dcal d(D) h k l
11.4000 11.4001 .0001 1 0 0
9.3000 9.3004 -.0004 0 1 0
5.8000 5.7999 .0001 -1 0 1
5.4000 5.4014 -.0014 1 -1 1
5.2000 5.1990 .0010 1 1 1
4.6000 4.6007 -.0007 -2 1 1
4.1000 4.0997 .0003 -3 1 0
3.8000 3.8000 -.0000 3 0 0
3.7000 3.7002 -.0002 1 2 1
2.9000 2.8999 .0001 -2 0 2
2.4000 2.4000 -.0000 -1 -2 2
2.0000 2.0000 .0000 -1 -3 2
A= 12.3205 DA= .0008
B= 10.1739 DB= .0003
C= 7.3620 DC= .0006
GAMMA=111.321 DGAMMA= .001
BETA = 87.2541 DBETA = .0009
ALPHA= 80.688 DALPHA= .005
V= 842.61
20. 47-2244
C10H8CuO6*15H2O
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
9.0000 9.0109 -.0109 0 1 1
5.2000 5.1950 .0050 1 1 1
4.9000 4.9128 -.0128 1 2 0
4.0000 4.0064 -.0064 1 3 0
3.7000 3.6941 .0059 0 0 3
3.2000 3.1941 .0059 1 0 3
3.0000 2.9979 .0021 2 1 1
2.7000 2.6995 .0005 1 5 1
2.4000 2.3982 .0018 2 4 1
2.3000 2.3007 -.0007 2 2 3
2.1000 2.0997 .0003 3 1 0
1.9000 1.9015 -.0015 2 5 3
1.7000 1.6995 .0005 0 9 1
a= 6.358 b=15.48 c=11.08
da= .004 db= .02 dc= .01
V=1091
21. 47-2248
C10H8CuO6*12H2O
Triklin
Dexp Dcal d(D) h k l
8.3000 8.3224 -.0224 1 0 0
6.3000 6.2983 .0017 -1 1 0
5.4000 5.3962 .0038 -1 0 1
5.1000 5.1067 -.0067 1 0 1
4.7000 4.6940 .0060 -1 -1 1
4.1000 4.1047 -.0047 1 1 1
4.0000 3.9912 .0088 -1 2 0
3.7000 3.6940 .0060 1 2 0
3.4000 3.3937 .0063 2 -1 1
3.2000 3.1934 .0066 -1 0 2
3.1000 3.0991 .0009 -1 -1 2
3.0000 3.0017 -.0017 0 1 2
A= 8.3675 DA= .0002
B= 8.766 DB= .001
C= 6.835 DC= .005
GAMMA= 95.02 DGAMMA= .01
BETA = 92.48 DBETA = .08
ALPHA= 98.11 DALPHA= .08
V= 493.7
22. 47-2276
C8H3CuNO6
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
14.0300 14.0450 -.0150 1 0 0
4.8700 4.8628 .0072 1 1 0
4.7000 4.6992 .0008 1 1 1
4.1900 4.1922 -.0022 2 1 1
3.6500 3.6478 .0022 -1 0 3
3.5100 3.5112 -.0012 4 0 0
3.2400 3.2404 -.0004 2 1 3
2.5900 2.5900 .0000 2 0 5
2.2400 2.2400 .0000 3 2 2
2.2100 2.2100 .0000 6 1 1
a= 14.777 b= 5.183 c= 12.961 beta= 71.88
da= .005 db=.002 dc=.001 dbet=.01
V=944.0
23. 47-2458
C10H12CuLi2N2O8*4Al{OH}3*4H2O
Triklin
Dexp Dcal d(D) h k l
14.2500 14.2562 -.0062 1 0 0
8.1500 8.1488 .0012 -1 1 0
7.4700 7.4851 -.0151 0 0 1
7.2500 7.2494 .0006 1 1 0
5.6800 5.6883 -.0083 -1 -1 1
5.0100 5.0176 -.0076 -1 1 1
4.8500 4.8310 .0190 1 1 1
4.3500 4.3471 .0029 -2 1 1
3.6500 3.6496 .0004 -3 -1 1
3.4700 3.4729 -.0029 -4 1 0
2.5260 2.5271 -.0011 1 3 1
2.4540 2.4540 .0000 3 -3 2
A= 14.3948 DA= .0006
B= 9.392 DB= .001
C= 7.6786 DC= .0009
GAMMA= 97.8604 DGAMMA= .0007
BETA = 87.026 DBETA = .004
ALPHA=102.836 DALPHA= .003
V= 1002.5