1. 32-0325
CuB3H8
Triklin
Dexp Dcal d(D) h k l
9.9300 9.9298 .0002 0 0 1
8.7500 8.7443 .0057 1 0 0
7.4000 7.4093 -.0093 -1 1 1
5.6800 5.6790 .0010 -1 -1 1
4.9600 4.9593 .0007 1 1 1
4.6500 4.6510 -.0010 -2 1 1
4.4000 4.3997 .0003 -2 0 1
3.7100 3.7046 .0054 -2 2 2
3.3100 3.3099 .0001 0 0 3
2.9300 2.9300 -.0000 0 4 1
2.8100 2.8129 -.0029 -3 3 0
2.7500 2.7502 -.0002 -2 3 3
A= 9.516 DA= .002
B= 12.847 DB= .002
C= 10.283 DC= .002
GAMMA=109.06 DGAMMA= .01
BETA =104.94 DBETA = .02
ALPHA= 83.370 DALPHA= .008
V= 1147.5
2. 32-0328
Cu{ClO4}2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.5400 5.5507 -.0107 2 1 0
4.1870 4.1905 -.0035 -1 1 2
3.7540 3.7540 .0000 3 1 1
3.6570 3.6572 -.0002 0 3 1
3.1870 3.1872 -.0002 3 1 2
3.0790 3.0765 .0025 0 3 2
2.9360 2.9359 .0001 -4 0 1
2.8380 2.8371 .0009 1 2 3
2.7550 2.7529 .0021 -2 1 3
2.7340 2.7362 -.0022 -3 2 2
2.6000 2.6000 -.0000 2 4 1
2.5150 2.5151 -.0001 5 0 0
a= 12.607 b= 11.815 c= 9.879 beta= 85.95
da= .003 db=.001 dc=.005 dbeta=.002
V= 1467.9
Triklin
Dexp Dcal d(D) h k l
5.5400 5.5380 .0020 1 1 0
4.1870 4.1869 .0001 -2 -1 1
3.7540 3.7571 -.0031 1 -1 2
3.6570 3.6646 -.0076 0 -1 3
3.1870 3.1841 .0029 2 -1 1
3.0790 3.0796 -.0006 1 -1 3
2.9360 2.9348 .0012 -1 1 3
2.8380 2.8394 -.0014 -1 -2 3
2.7550 2.7551 -.0001 3 0 1
2.7340 2.7327 .0013 -2 0 4
2.6000 2.6017 -.0017 -2 1 3
2.5150 2.5134 .0016 0 2 2
A= 9.4120 DA= .0004
B= 6.4584 DB= .0004
C= 12.415 DC= .001
GAMMA= 76.741 DGAMMA= .001
BETA =105.008 DBETA = .002
ALPHA=104.886 DALPHA= .006
V=693.6
3. 32-0329
Cu{ClO4}2*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.2500 6.2480 .0020 1 1 0
4.7200 4.7161 .0039 -2 0 2
3.8010 3.7982 .0028 1 2 0
3.6300 3.6265 .0035 -2 0 3
3.5340 3.5328 .0012 -3 0 2
3.3390 3.3409 -.0019 1 2 1
3.2880 3.2859 .0021 -2 2 1
3.1750 3.1750 -.0000 0 2 2
3.1100 3.1124 -.0024 -2 2 2
2.8280 2.8251 .0029 2 0 2
2.7300 2.7287 .0013 -2 2 3
2.6000 2.6009 -.0009 1 1 3
a= 10.792 b= 8.285 c=11.215 beta= 118.172
da= .003 db= .004 dc=.003 dbeta=.005
V= 884
Triklin
Dexp Dcal d(D) h k l
6.2500 6.2525 -.0025 1 1 0
4.7200 4.7159 .0041 -1 0 1
3.8010 3.8000 .0010 -1 -2 1
3.6300 3.6320 -.0020 2 1 0
3.5340 3.5341 -.0001 -1 4 0
3.3390 3.3380 .0010 1 2 1
3.2880 3.2915 -.0035 0 3 1
3.1750 3.1732 .0018 -2 -1 1
3.1100 3.1112 -.0012 0 -4 1
2.8280 2.8261 .0019 -1 4 1
2.7300 2.7299 .0001 0 5 0
2.6000 2.6003 -.0003 -1 1 2
A= 8.5311 DA= .0008
B= 14.388 DB= .001
C= 5.59631 DC= .00006
GAMMA=106.557 DGAMMA= .007
BETA = 91.122 DBETA = .008
ALPHA= 97.5876 DALPHA= .0002
V=651.5
4. 32-0330
CuNO2{ClO4}3
Triklin
Dexp Dcal d(D) h k l
6.2100 6.2385 -.0285 -1 0 1
5.9000 5.9025 -.0025 2 1 0
4.4100 4.4029 .0071 -1 -2 1
4.1400 4.1340 .0060 2 1 2
3.9690 3.9690 .0000 -2 1 0
3.9000 3.9021 -.0021 0 -1 2
3.7980 3.7941 .0039 2 3 0
3.7230 3.7276 -.0046 2 0 2
3.5900 3.5926 -.0026 0 2 2
3.2810 3.2825 -.0015 -3 -1 1
3.0980 3.0975 .0005 1 1 3
2.9590 2.9601 -.0011 0 0 3
A= 12.27567 DA= .00009
B= 11.993 DB= .006
C= 9.299 DC= .003
GAMMA= 59.88 DGAMMA= .02
BETA = 74.30 DBETA = .02
ALPHA= 76.08 DALPHA= .03
V=1129.7
5. 32-0338
Cu0.6In0.6Mn0.4Zn0.4S2
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
3.3710 3.3711 -.0001 1 1 0
3.1960 3.1960 .0000 0 2 0
2.9810 2.9806 .0004 -1 1 1
2.3180 2.3188 -.0008 -1 2 1
1.9500 1.9501 -.0001 1 2 1
1.8010 1.8008 .0002 -1 3 1
1.6900 1.6900 .0000 0 2 2
a= 4.1650 b= 6.392 c= 4.180 beta= 107.69
da=.0005 db= .003 dc= .001 dbet=.01
V=106.0
6. 32-0340
Cu0.4In0.4Zn1.2S2
Monoklin
Dexp Dcal d(D) h k l p
3.3350 3.3362 -.0012 1 1 0 0
3.1590 3.1610 -.0020 0 2 0 1
2.9520 2.9519 .0001 1 1 1 0
2.2950 2.2952 -.0002 1 2 1 0
1.9280 1.9280 -.0000 0 0 2 0
1.7820 1.7820 .0000 1 3 1 0
1.6700 1.6691 .0009 2 0 2 7
1.6460 1.6460 .0000 0 2 2 0
1.6130 1.6138 -.0008 2 1 2 7
1.5820 1.5819 .0001 -1 3 1 0
a= 4.146 b= 6.322 c= 4.0709 beta= 71.29
da= .001 db=.002 dc=.0007 dbeta=.01
V= 101.08
7. 32-1074
Na4Cu{PO4}2
Triklin
Dexp Dcal d(D) h k l
8.1100 8.1119 -.0019 1 0 0
7.8800 7.8849 -.0049 1 1 0
6.6600 6.6606 -.0006 1 0 1
4.9700 4.9650 .0050 -1 0 1
4.6800 4.6872 -.0072 -1 -2 1
4.5200 4.5155 .0045 1 2 1
4.2580 4.2534 .0046 -1 2 0
4.0620 4.0560 .0060 2 0 0
3.9070 3.9095 -.0025 0 0 2
3.7040 3.7041 -.0001 2 -1 1
3.5360 3.5369 -.0009 -2 1 0
3.3040 3.3073 -.0033 -1 2 1
A= 8.722 DA= .003
B= 12.749 DB= .006
C= 8.300 DC= .001
GAMMA= 76.06 DGAMMA= .02
BETA = 76.797 DBETA = .01
ALPHA=100.56 DALPHA= .05
V= 843.8
8. 32-1075
beta-NaCuPO4
Triklin
Dexp Dcal d(D) h k l
5.9900 5.9890 .0010 -1 0 1
4.8700 4.8916 -.0216 1 1 1
4.8200 4.8169 .0031 0 -1 1
4.3400 4.3349 .0051 -1 1 0
4.3200 4.3148 .0052 0 0 2
4.0910 4.0791 .0119 2 0 1
3.8400 3.8483 -.0083 -2 0 1
3.7820 3.7791 .0029 -1 0 2
3.1270 3.1263 .0007 -2 1 0
3.0150 3.0164 -.0014 -1 1 2
2.9680 2.9701 -.0021 3 0 0
2.8780 2.8765 .0015 0 0 3
A= 9.3517 DA= .0004
B= 6.116 DB= .004
C= 8.656 DC= .005
GAMMA= 72.80 DGAMMA= .02
BETA = 85.56 DBETA = .05
ALPHA= 88.19 DALPHA= .03
V=471.8
9. 32-1076
alfa-Na3Cu9{PO4}7
Triklin
Dexp Dcal d(D) h k l
7.0600 7.0495 .0105 1 1 0
6.3300 6.3321 -.0021 -1 1 1
5.6700 5.6634 .0066 -1 -1 1
5.4800 5.4627 .0173 1 0 2
5.1100 5.1109 -.0009 -1 1 2
4.9000 4.8842 .0158 2 0 1
4.7000 4.7120 -.0120 2 1 0
4.5800 4.5880 -.0080 0 -1 2
4.3300 4.3345 -.0045 0 1 3
4.2000 4.1958 .0042 0 2 2
4.0900 4.0907 -.0007 2 1 2
3.9200 3.9261 -.0061 -1 2 0
A= 10.6268 DA= .0003
B= 9.1477 DB= .0007
C= 13.309 DC= .001
GAMMA= 84.912 DGAMMA= .002
BETA = 88.760 DBETA = .006
ALPHA= 73.792 DALPHA= .005
V=1237.4
10. 32-1078
Na2CuSi4O10
Triklin
Dexp Dcal d(D) h k l
8.8300 8.8269 .0031 0 1 0
6.4500 6.4377 .0123 1 0 0
6.0800 6.0770 .0030 0 -1 2
5.9600 5.9496 .0104 1 0 1
5.1500 5.1415 .0085 -1 1 0
4.9200 4.9178 .0022 1 1 1
4.4500 4.4566 -.0066 -1 -1 2
3.8960 3.8926 .0034 0 0 4
3.7350 3.7383 -.0033 1 -1 3
3.6820 3.6826 -.0006 1 2 0
3.5580 3.5564 .0016 1 -2 1
3.4570 3.4590 -.0020 -1 2 1
A= 6.43968 DA= .00003
B= 8.856 DB= .001
C= 15.6173 DC= .0007
GAMMA= 88.596 DGAMMA= .008
BETA = 90.107 DBETA = .002
ALPHA= 94.45 DALPHA= .01
V=886.7
11. 32-1080
Na2Cu{Si3O7}2*5H2O
Triklin
Dexp Dcal d(D) h k l
12.7000 12.6971 .0029 0 0 1
11.5800 11.5802 -.0002 1 0 0
7.1000 7.0924 .0076 0 -2 1
6.4800 6.4791 .0009 0 2 0
5.7900 5.7901 -.0001 2 0 0
5.4300 5.4380 -.0080 -1 0 2
4.9500 4.9440 .0060 0 1 2
4.7500 4.7539 -.0039 2 -1 1
4.5800 4.5772 .0028 1 3 0
4.2900 4.2892 .0008 -1 1 2
4.0500 4.0502 -.0002 1 0 3
3.9480 3.9440 .0040 3 2 0
A= 12.339 DA= .004
B= 15.168 DB= .003
C= 14.036 DC= .001
GAMMA= 70.06 DGAMMA= .02
BETA = 95.51 DBETA = .01
ALPHA=115.04 DALPHA= .01
V= 2233.9
12. 32-1600
C14H18CuO4
Triklin
Dexp Dcal d(D) h k l
17.4000 17.4082 -.0082 1 0 0
8.5000 8.4877 .0123 -1 1 0
7.8700 7.8784 -.0084 1 0 1
7.6100 7.6119 -.0019 2 1 0
5.7600 5.7631 -.0031 2 1 1
5.6300 5.6268 .0032 3 1 0
5.1800 5.1813 -.0013 -3 -1 1
4.9800 4.9796 .0004 -1 0 2
4.7300 4.7306 -.0006 -1 2 1
4.6000 4.6005 -.0005 3 0 1
4.5300 4.5298 .0002 0 -2 1
4.4600 4.4594 .0006 3 2 0
A= 18.0913 DA= .0003
B= 11.1878 DB= .0002
C= 10.0292 DC= .00002
GAMMA= 79.2573 DGAMMA= .0003
BETA =100.4602 DBETA = .0004
ALPHA= 85.051 DALPHA= .001
V=1945.4
13. 32-1601
C14H18CuNO4
Triklin
Dexp Dcal d(D) h k l
17.4000 17.4186 -.0186 1 0 0
8.5100 8.4939 .0161 0 1 0
7.9000 7.9047 -.0047 -2 0 1
7.6300 7.6223 .0077 0 1 1
5.7500 5.7489 .0011 0 1 2
5.6400 5.6370 .0030 -3 0 1
5.2300 5.2252 .0048 2 0 2
5.0100 5.0132 -.0032 -3 1 0
4.7900 4.7877 .0023 0 0 3
4.6000 4.6000 .0000 3 1 0
4.5100 4.5096 .0004 3 -1 1
4.4700 4.4738 -.0038 1 0 3
A= 17.658 DA= .007
B= 8.5768 DB= .0003
C= 14.559 DC= .001
GAMMA= 96.03 DGAMMA= .09
BETA = 97.84 DBETA = .05
ALPHA= 84.02 DALPHA= .02
V=2162.0
14. 32-1602
C14H18CuNO4
Triklin
Dexp Dcal d(D) h k l
17.4000 17.3824 .0176 1 0 0
8.4900 8.4979 -.0079 -1 1 0
7.9000 7.9288 -.0288 -1 1 1
7.6300 7.6279 .0021 1 0 1
5.7900 5.7941 -.0041 3 0 0
5.6800 5.6769 .0031 2 1 1
5.0100 5.0218 -.0118 0 2 1
4.7400 4.7418 -.0018 0 1 2
4.0200 4.0197 .0003 3 -1 1
3.6200 3.6205 -.0005 -3 -1 1
3.4300 3.4296 .0004 -5 1 0
3.3800 3.3780 .0020 -1 3 1
A= 17.6382 DA= .0006
B= 10.2153 DB= .0008
C= 9.499 DC= .001
GAMMA= 99.678 DGAMMA= .003
BETA = 93.305 DBETA = .004
ALPHA= 62.051 DALPHA= .006
V=1489.6
15. 32-1603
C16H19CuN2O4
Triklin
Dexp Dcal d(D) h k l
7.8900 7.8773 .0127 0 1 1
7.6300 7.6287 .0013 0 -1 1
6.8100 6.8082 .0018 1 0 0
5.7300 5.7199 .0101 0 0 2
5.2100 5.2040 .0060 -1 1 0
4.7200 4.7182 .0018 1 2 0
4.5000 4.5004 -.0004 -1 -2 1
4.0100 4.0082 .0018 1 1 2
3.6200 3.6232 -.0032 0 1 3
3.4200 3.4214 -.0014 -2 0 1
3.3600 3.3595 .0005 -1 -3 1
3.3100 3.3090 .0010 -1 1 3
3.1900 3.1906 -.0006 2 1 1
2.9500 2.9509 -.0009 0 -3 2
A= 7.086 DA= .001
B= 10.820 DB= .006
C= 11.600 DC= .004
GAMMA= 76.979 DGAMMA= .003
BETA = 99.37 DBETA = .01
ALPHA= 90.34 DALPHA= .04
V= 854.5
16. 32-1604
C14H18CuNO5
Triklin
Dexp Dcal d(D) h k l
11.5000 11.5026 -.0026 1 1 0
8.6200 8.6389 -.0189 0 1 1
7.9000 7.8803 .0197 1 2 0
7.6800 7.6810 -.0010 1 0 1
6.5100 6.5122 -.0022 -1 1 1
6.3300 6.3258 .0042 2 0 0
5.7200 5.7239 -.0039 2 1 1
5.5900 5.5995 -.0095 0 -2 1
5.4000 5.4064 -.0064 2 2 1
5.1800 5.1818 -.0018 0 3 1
4.9400 4.9310 .0090 1 -2 1
4.7200 4.7223 -.0023 2 -1 1
A= 13.182 DA= .001
B= 17.572 DB= .002
C= 9.274 DC= .002
GAMMA= 74.56 DGAMMA= .01
BETA = 81.62 DBETA = .01
ALPHA= 77.25 DALPHA= .01
V=2010.5
17. 32-1610
C2H6CuO6S2
Triklin
Dexp Dcal d(D) h k l
9.2800 9.2825 -.0025 1 0 0
7.0700 7.0607 .0093 1 1 0
6.3100 6.3136 -.0036 0 0 1
4.8300 4.8303 -.0003 0 -1 1
4.6800 4.6732 .0068 0 2 1
4.1500 4.1614 -.0114 -1 -1 1
4.0100 4.0084 .0016 2 1 1
3.3600 3.3590 .0010 1 -2 1
3.2730 3.2730 .0000 -1 -2 1
3.1590 3.1568 .0022 0 0 2
3.0010 3.0007 .0003 3 1 0
2.7240 2.7240 .0000 1 3 2
A= 9.385 DA= .001
B= 10.774 DB= .008
C= 6.630 DC= .005
GAMMA= 85.32 DGAMMA= .04
BETA = 81.91 DBETA = .03
ALPHA= 73.64 DALPHA= .04
V= 636.3
18. 32-1611
C2H6CuO6S2*2H2O
Triklin
Dexp Dcal d(D) h k l
8.4800 8.4241 .0559 -1 0 1
7.9400 7.9582 -.0182 -1 -1 1
5.6400 5.6286 .0114 1 0 1
4.6600 4.6652 -.0052 0 0 2
4.4100 4.4035 .0065 1 -1 1
4.2100 4.2120 -.0020 -2 0 2
3.7600 3.7604 -.0004 -2 1 1
3.6360 3.6366 -.0006 -2 1 0
3.5360 3.5416 -.0056 1 1 2
3.4500 3.4486 .0014 -3 -2 2
3.3450 3.3453 -.0003 0 -2 2
3.2360 3.2366 -.0006 1 -2 1
A= 11.353 DA= .002
B= 10.23 DB= .01
C= 10.382 DC= .003
GAMMA= 63.552 DGAMMA= .001
BETA =115.90 DBETA = .02
ALPHA=103.42 DALPHA= .01
V=970.9
19. 32-1612
C20H20CuN4O8S2
Triklin
Dexp Dcal d(D) h k l
7.7900 7.7916 -.0016 1 0 1
7.1100 7.1107 -.0007 1 1 1
5.6600 5.6567 .0033 -1 -1 1
4.8400 4.8350 .0050 0 0 2
4.6400 4.6368 .0032 2 1 0
4.4300 4.4249 .0051 -1 -2 1
4.0100 4.0114 -.0014 2 1 2
3.8020 3.8050 -.0030 -1 -1 2
3.6260 3.6268 -.0008 2 -1 1
3.5070 3.5039 .0031 -2 -2 1
3.3580 3.3612 -.0032 1 3 1
3.1590 3.1574 .0016 0 -1 3
A= 9.775 DA= .003
B= 10.654 DB= .007
C= 10.228 DC= .007
GAMMA= 67.99 DGAMMA= .03
BETA = 71.84 DBETA = .04
ALPHA= 88.34 DALPHA= .04
V= 933.6
20. 32-1614
C18H22CuO4
Triklin
Dexp Dcal d(D) h k l
17.0000 16.9907 .0093 1 0 0
8.4300 8.4347 -.0047 -1 1 0
5.6100 5.6094 .0006 -1 -1 2
5.0100 5.0093 .0007 -2 -1 2
4.7600 4.7607 -.0007 0 -2 1
4.6000 4.5994 .0006 3 0 1
4.5100 4.5112 -.0012 2 -1 2
4.4600 4.4573 .0027 -1 -2 1
4.1500 4.1452 .0048 -4 1 0
3.9000 3.9004 -.0004 -4 1 1
3.6800 3.6770 .0030 -3 1 2
3.5300 3.5292 .0008 -1 -2 3
A= 17.55001 DA= .00002
B= 9.58425 DB= .00007
C= 11.8839 DC= .0002
GAMMA= 96.567 DGAMMA= .005
BETA = 99.39 DBETA = .01
ALPHA=112.26 DALPHA= .01
V= 1791.1
21. 32-1615
C18H22CuO4
Triklin
Dexp Dcal d(D) h k l
17.1000 17.0098 .0902 1 0 0
8.4400 8.4238 .0162 1 1 0
5.6100 5.6041 .0059 1 0 2
5.0200 5.0201 -.0001 1 -1 2
4.8000 4.7991 .0009 0 1 2
4.6000 4.6000 .0000 -1 1 2
4.5000 4.4927 .0073 3 -1 1
3.9200 3.9190 .0010 0 -2 2
3.6900 3.6918 -.0018 3 1 2
3.5100 3.5101 -.0001 0 2 2
3.4000 3.4020 -.0020 5 0 0
3.3000 3.2987 .0013 -3 -2 2
A= 17.033 DA= .002
B= 9.503 DB= .003
C= 11.996 DC= .002
GAMMA= 87.12 DGAMMA= .04
BETA = 90.98 DBETA = .03
ALPHA= 96.52 DALPHA= .03
V=1928
22. 32-1616
C18H22CuO4
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
15.8000 15.9215 -.1215 1 0 0
8.1500 8.1590 -.0090 0 1 1
7.9000 7.9607 -.0607 2 0 0
5.5100 5.5402 -.0302 2 2 0
5.2800 5.3028 -.0228 2 1 1
4.8900 4.8943 -.0043 1 3 0
4.2000 4.2263 -.0263 -3 2 1
3.9400 3.9400 .0000 -4 0 1
3.5800 3.5800 .0000 0 4 1
2.9400 2.9400 .0000 -2 2 3
a= 16.2 b= 15.43 c=9.7764 beta= 100.5
da=.1 db= .01 dc=.0001 dbet=.1
V=2378
23. 32-1618
C22H24CuN4O4
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
6.8100 6.8955 -.0855 1 0 0
4.7000 4.6939 .0061 1 2 0
4.5100 4.5097 .0003 1 1 1
3.6400 3.6314 .0086 1 3 0
3.4500 3.4478 .0022 2 0 0
3.3700 3.3672 .0028 0 0 2
3.1900 3.1963 -.0063 1 3 1
2.9800 2.9807 -.0007 0 2 2
a= 6.8955 b=12.82 c= 6.734
da= .0002 db= .02 dc= .003
v= 595
24. 32-1619
C18H22CuN2O6
Triklin
Dexp Dcal d(D) h k l
11.4000 11.4170 -.0170 0 1 1
8.6000 8.5694 .0306 0 -1 1
6.5100 6.5193 -.0093 -1 1 0
6.3300 6.3396 -.0096 1 0 1
5.5900 5.5910 -.0010 1 -1 1
5.4000 5.4207 -.0207 -1 -1 1
5.1600 5.1627 -.0027 -1 2 1
4.9700 4.9684 .0016 1 0 2
4.7400 4.7367 .0033 1 2 0
4.3900 4.3939 -.0039 -1 -1 2
4.2600 4.2575 .0025 -1 -2 1
4.1200 4.1175 .0025 -1 1 3
A= 7.204 DA= .003
B= 13.9927 DB= .0009
C= 14.641 DC= .006
GAMMA= 94.49 DGAMMA= .08
BETA = 92.43 DBETA = .08
ALPHA= 73.638 DALPHA= .009
V= 1411.4
1. 33-0449
{NH3}4CuMoO4
Triklin
Dexp Dcal d(D) h k l
5.5500 5.5381 .0119 1 1 0
5.0100 5.0153 -.0053 0 1 1
4.4500 4.4497 .0003 0 -1 1
4.0600 4.0601 -.0001 -1 1 1
3.4930 3.4874 .0056 -1 -2 1
3.1990 3.1999 -.0009 1 2 1
2.8890 2.8919 -.0029 -2 -1 1
2.8500 2.8494 .0006 2 0 0
2.5530 2.5525 .0005 1 -2 1
2.4980 2.4993 -.0013 0 -1 2
2.4260 2.4250 .0010 -1 2 2
2.3590 2.3600 -.0010 0 4 1
A= 6.0766 DA= .0001
B= 10.135327 DB= .00035
C= 5.61057 DC= .00005
GAMMA= 77.8532 DGAMMA= .0004
BETA =104.9889 DBETA = .0005
ALPHA= 85.467 DALPHA= .001
V=323.1
2. 33-1239
Na19Cu{PO4}7
Triklin
Dexp Dcal d(D) h k l
6.6500 6.6521 -.0021 0 0 1
6.3200 6.3178 .0022 0 -2 1
5.6200 5.6202 -.0002 -1 3 0
5.4600 5.4565 .0035 0 -4 1
4.8200 4.8203 -.0003 -1 5 0
4.2660 4.2680 -.0020 -1 4 1
3.9690 3.9691 -.0001 1 -4 1
3.7500 3.7512 -.0012 -1 -6 1
3.6890 3.6870 .0020 0 8 1
3.9980 3.9965 .0015 -1 -5 1
3.0860 3.0877 -.0017 0 4 2
3.0350 3.0352 -.0002 2 2 0
A= 6.24783 DA= .00001
B= 36.3301 DB= .001
C= 6.698 DC= .002
GAMMA= 92.305 DGAMMA= .001
BETA = 96.394 DBETA = .004
ALPHA= 91.76 DALPHA= .01
V= 1508.7
3. 33-1240
Na6Cu9{PO4}8
Triklin
Dexp Dcal d(D) h k l
8.1700 8.1798 -.0098 1 0 0
6.7900 6.7712 .0188 -1 1 0
5.6500 5.6491 .0009 -1 1 1
5.4600 5.4551 .0049 1 1 1
5.0900 5.0866 .0034 -1 0 1
4.9200 4.9235 -.0035 1 1 0
4.6700 4.6685 .0015 0 -1 1
4.5300 4.5316 -.0016 0 1 2
4.3400 4.3395 .0005 0 2 1
4.1900 4.1912 -.0012 -2 1 0
4.0900 4.0899 .0001 2 0 0
4.0200 4.0210 -.0010 -1 2 0
A= 8.7320 DA= .0007
B= 8.8837 DB= .0008
C= 9.236 DC= .004
GAMMA=102.19 DGAMMA= .09
BETA = 80.02 DBETA = .04
ALPHA= 66.77 DALPHA= .05
V=619.4
4. 33-1241
alfa-NaCuPO4
Triklin
Dexp Dcal d(D) h k l
5.7900 5.7910 -.0010 0 0 2
5.5100 5.5138 -.0038 -1 2 0
4.8600 4.8590 .0010 0 -2 2
4.2420 4.2477 -.0057 -1 -1 2
4.0330 4.0302 .0028 1 -2 2
3.9860 3.9893 -.0033 1 3 0
3.6830 3.6847 -.0017 -1 4 0
3.6040 3.6058 -.0018 1 -3 2
3.0820 3.0812 .0008 -1 5 0
2.9520 2.9521 -.0001 1 2 3
2.8960 2.8955 .0005 0 0 4
2.8800 2.8806 -.0006 0 -1 4
2.8510 2.8506 .0004 -2 -1 2
A= 6.75247 DA= .00005
B= 16.4410 DB= .0003
C= 11.60498 DC= .00003
GAMMA= 96.895 DGAMMA= .003
BETA = 91.1439 DBETA = .0003
ALPHA= 93.269 DALPHA= .001
V=1276.6
5. 33-1592
C17H22BrClCuN4O5
Triklin
Dexp Dcal d(D) h k l
8.8500 8.8385 .0115 1 0 0
7.8000 7.7949 .0051 0 1 1
6.6900 6.6831 .0069 0 -1 1
6.2100 6.2112 -.0012 -1 0 1
6.0300 6.0291 .0009 1 0 1
5.8400 5.8381 .0019 1 2 0
5.6600 5.6603 -.0003 -1 1 1
4.4900 4.4911 -.0011 0 3 0
4.2800 4.2797 .0003 0 3 1
4.0500 4.0498 .0002 1 -2 1
3.9600 3.9604 -.0004 2 1 1
3.8600 3.8605 -.0005 0 -1 2
A= 8.959 DA= .001
B= 13.851 DB= .004
C= 8.602 DC= .001
GAMMA= 80.74 DGAMMA= .02
BETA = 90.13 DBETA = .01
ALPHA= 80.40 DALPHA= .01
V= 1038.3
6. 33-1605
C6H4CuN6O4*0.5H2O
Triklin
Dexp Dcal d(D) h k l
7.5600 7.5569 .0031 0 1 1
7.3400 7.3377 .0023 1 0 0
7.2000 7.1989 .0011 0 -1 1
5.5400 5.5401 -.0001 0 1 2
4.5100 4.5090 .0010 -1 2 0
4.2800 4.2762 .0038 1 1 2
4.2400 4.2459 -.0059 1 0 3
3.3500 3.3510 -.0010 1 0 4
3.2500 3.2505 -.0005 0 1 4
3.1100 3.1100 .0000 -1 -2 1
2.8300 2.8307 -.0007 -1 -2 2
2.8200 2.8201 -.0001 0 -3 1
A= 7.9534 DA= .0001
B= 9.3275 DB= .0004
C= 13.9488 DC= .0001
GAMMA=110.180 DGAMMA= .001
BETA = 79.8138 DBETA = .0004
ALPHA= 90.672 DALPHA= .002
954.5
7. 33-1606
C6H11CuNO5
Triklin
Dexp Dcal d(D) h k l
15.0800 15.0761 .0039 0 0 1
13.5300 13.5382 -.0082 1 0 0
11.7100 11.7139 -.0039 -1 1 1
10.8000 10.8588 -.0588 0 -1 1
7.7400 7.7427 -.0027 -1 2 0
6.5900 6.5901 -.0001 -2 0 2
5.9800 5.9805 -.0005 -2 2 1
4.5200 4.5190 .0010 -2 3 0
4.3200 4.3198 .0002 1 5 0
4.1000 4.1022 -.0022 -2 0 4
3.8600 3.8593 .0007 0 3 4
3.7700 3.7690 .0010 0 0 4
A= 14.9342 DA= .0008
B= 22.568 DB= .003
C= 17.184 DC= .005
GAMMA= 86.432 DGAMMA= .004
BETA =112.78 DBETA = .02
ALPHA= 75.00 DALPHA= .02
V= 5071.4
8. 33-1607
16H22CuN2O7*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
2.1800 2.1790 .0010 4 0 2
2.0700 2.0702 -.0002 -3 1 1
1.9900 1.9899 .0001 -4 0 1
1.9000 1.9002 -.0002 -3 1 2
1.8200 1.8200 .0000 -4 0 2
1.7800 1.7814 -.0014 4 1 3
1.7300 1.7299 .0001 -3 0 4
1.6800 1.6803 -.0003 4 1 4
1.5800 1.5807 -.0007 2 2 2
1.4800 1.4797 .0003 3 2 0
1.3800 1.3801 -.0001 -2 1 6
1.3400 1.3399 .0001 6 1 3
1.2400 1.2397 .0003 0 2 6
a= 8.8094 b= 3.469 c= 11.009 beta= 75.029
da= .0009 db=.002 dc=.001 dbeta=.006
V= 325.0
Triklin
Dexp Dcal d(D) h k l
2.1800 2.1799 .0001 0 1 1
2.0700 2.0696 .0004 0 -1 1
1.9900 1.9901 -.0001 -1 -1 1
1.9000 1.8989 .0011 -2 0 1
1.8200 1.8191 .0009 0 -2 1
1.7800 1.7800 -.0000 -1 -2 1
1.7300 1.7295 .0005 5 2 0
1.6800 1.6803 -.0003 -2 -2 1
1.5800 1.5801 -.0001 -2 4 0
1.4800 1.4798 .0002 5 0 1
1.3800 1.3804 -.0004 4 4 1
1.3400 1.3403 -.0003 6 1 1
1.2400 1.2398 .0002 5 5 0
A= 9.159 DA= .001
B= 7.414 DB= .007
C= 2.2517 DC= .0001
GAMMA= 78.77 DGAMMA= .05
BETA = 81.99 DBETA = .02
ALPHA= 83.29 DALPHA= .01
V= 147.9
9. 33-1621
C2H5NO*Cu{CH3Coo}2
Triklin
9.1800 9.1737 .0063 1 0 0
7.6600 7.6513 .0087 0 1 1
5.2700 5.2652 .0048 0 -1 1
4.9100 4.9032 .0068 0 0 2
4.7300 4.7294 .0006 -2 1 0
4.4000 4.3968 .0032 1 1 2
4.2200 4.2195 .0005 2 -1 1
4.0100 4.0189 -.0089 -1 0 2
3.7600 3.7606 -.0006 1 -1 2
3.7200 3.7202 -.0002 2 0 2
3.4500 3.4466 .0034 -2 1 2
3.3200 3.3191 .0009 1 2 2
A= 9.791 DA= .003
B= 8.853 DB= .002
C= 10.566 DC= .005
GAMMA=107.40 DGAMMA= .08
BETA = 85.79 DBETA = .07
ALPHA= 70.957 DALPHA= .001
V= 811.2