1. 1-0051
C14H6As6Cu4O16
Tetragon
Groupa 85,118,129
Dexp. Dcal. d(D) h k l
10.0000 9.5305 .4695 0 0 1
4.5500 4.5134 .0366 2 0 1
3.9900 3.9816 .0084 1 1 2
3.4800 3.4896 -.0096 2 0 2
3.3000 3.3034 -.0034 2 1 2
3.0600 3.0684 -.0084 3 1 1
2.6800 2.6799 .0001 3 1 2
2.4000 2.4053 -.0053 4 1 1
1.6900 1.6869 .0031 2 2 5
1.6200 1.6205 -.0005 6 2 0
1.5500 1.5516 -.0016 1 1 6
1.4500 1.4494 .0006 7 1 0
a= 10.25 c= 9.53
da= .01 dc= .02
V=1001.1
2. 1-0054
Cu3{PO4}2*3H2O
Triklin
Dexp Dcal d(D) h k l
9.9000 9.8369 .0631 0 0 1
6.9000 6.9012 -.0012 1 0 1
4.8000 4.7965 .0035 1 1 1
4.3200 4.3187 .0013 -1 -1 1
3.9000 3.9035 -.0035 1 -1 2
3.3400 3.3390 .0010 -1 -1 2
3.0200 3.0186 .0014 2 1 2
2.6500 2.6506 -.0006 2 -1 3
2.5400 2.5421 -.0021 -1 -2 2
2.4900 2.4900 .0000 0 2 3
2.4100 2.4105 -.0005 1 -2 3
2.3400 2.3399 .0001 -1 3 1
A= 8.52918 DA= .00008
B= 7.29717 DB= .00007
C= 9.95477 DC= .00006
GAMMA= 97.8134 DGAMMA= .0006
BETA = 81.6526 DBETA = .0004
ALPHA= 88.3308 DALPHA= .0004
V=606.5
3. 1-0158
C4H4CuO6*3H2O
Triklin
Dexp Dcal d(D) h k l
7.6000 7.5915 .0085 1 0 0
5.9000 5.8855 .0145 0 1 0
4.6000 4.5992 .0008 0 0 1
4.3300 4.3404 -.0104 -1 1 0
4.1000 4.0910 .0090 1 0 1
3.8000 3.7958 .0042 2 0 0
3.5400 3.5347 .0053 0 1 1
3.3000 3.3044 -.0044 1 -1 1
3.0600 3.0581 .0019 2 0 1
2.9000 2.8975 .0025 1 2 0
2.5400 2.5403 -.0003 0 -2 1
2.4300 2.4304 -.0004 1 2 1
A= 7.71 DA= .01
B= 5.961 DB= .001
C= 4.620 DC= .002
GAMMA= 81.41 DGAMMA= .06
BETA = 85.53 DBETA = .06
ALPHA= 92.32 DALPHA= .05
V=209.0
4. 1-0164
Cu{NO3}2*3H2O
Triklin
Dexp Dcal d(D) h k l
5.8000 5.8084 -.0084 1 1 0
5.4000 5.3978 .0022 0 1 1
4.7000 4.6982 .0018 0 -1 1
4.0400 4.0392 .0008 -1 1 0
3.6500 3.6496 .0004 1 2 1
3.3800 3.3801 -.0001 2 1 1
3.0000 3.0003 -.0003 2 2 1
2.6300 2.6290 .0010 -1 1 2
2.4600 2.4599 .0001 1 1 3
2.2500 2.2498 .0002 3 2 1
2.0900 2.0900 -.0000 2 0 3
1.8100 1.8102 -.0002 -1 2 3
1.6900 1.6900 -.0000 4 2 2
1.5700 1.5700 .0000 -1 3 3
A= 6.936 DA= .002
B= 7.6910 DB= .0004
C= 7.446 DC= .002
GAMMA= 67.36 DGAMMA= .01
BETA = 75.71 DBETA = .02
ALPHA= 77.39 DALPHA= .01
V= 351.8
5. 1-0191
C12H10Cu4*O14*5H2O
Triklin
Dexp Dcal d(D) h k l
7.4000 7.3963 .0037 1 0 0
5.6000 5.6102 -.0102 0 1 0
4.5500 4.5556 -.0056 0 0 1
3.8500 3.8342 .0158 0 1 1
3.5600 3.5639 -.0039 1 -1 1
3.1300 3.1292 .0008 2 -1 1
2.9200 2.9169 .0031 -1 2 0
2.6600 2.6574 .0026 -1 -1 1
2.4900 2.4839 .0061 3 -1 1
2.4100 2.4108 -.0008 1 -2 1
2.1900 2.1922 -.0022 -3 2 0
1.9900 1.9916 -.0016 3 0 2
A= 8.0129 DA= .0009
B= 5.8758 DB= .0002
C= 4.781 DC= .005
GAMMA=104.97 DGAMMA= .07
BETA = 74.61 DBETA = .02
ALPHA= 85.79 DALPHA= .02
V= 207.2
6. 1-0206
CuSCN
Triklin
Dexp Dcal d(D) h k l
5.5000 5.5008 -.0008 1 0 0
3.2500 3.2506 -.0006 0 1 1
3.1000 3.1013 -.0013 -2 -1 1
2.7200 2.7200 -.0000 1 1 1
2.5900 2.5915 -.0015 1 -1 1
1.9200 1.9198 .0002 0 -2 2
1.8200 1.8198 .0002 1 1 2
1.7500 1.7502 -.0002 1 3 0
1.6600 1.6600 .0000 -3 -1 3
1.5700 1.5699 .0001 -4 -1 2
1.4700 1.4701 -.0001 -2 1 3
1.3600 1.3600 -.0000 2 2 2
A= 6.3937 DA= .0007
B= 5.5116 DB= .0003
C= 5.5267 DC= .0002
GAMMA= 68.01 DGAMMA= .01
BETA =116.308 DBETA = .009
ALPHA=107.654 DALPHA= .001
V= 159.7
7. 1-0254
C2H2CuO4
Triklin
Dexp Dcal d(D) h k l
4.9000 4.9082 -.0082 0 -1 1
4.6000 4.5890 .0110 1 2 0
4.2900 4.3019 -.0119 1 1 1
3.6000 3.6018 -.0018 2 -1 1
3.3900 3.3926 -.0026 -1 1 1
2.8400 2.8403 -.0003 -1 -3 1
2.6100 2.6096 .0004 3 1 1
2.4400 2.4431 -.0030 3 2 0
2.2000 2.2002 -.0002 3 3 0
2.1200 2.1201 -.0001 0 -5 1
2.0200 2.0187 .0013 -3 1 1
1.9500 1.9504 -.0004 3 4 0
A= 8.369 DA= .001
B= 10.933 DB= .003
C= 5.3555 DC= .0009
GAMMA= 89.64 DGAMMA= .02
BETA = 72.77 DBETA = .03
ALPHA= 99.75 DALPHA= .04
V=460.1
8. 1-0257
CuCrO4.2CuO*2H2O
Triklin
Dexp Dcal d(D) h k l
6.1000 6.0934 .0066 0 1 0
5.4000 5.4015 -.0015 0 1 1
4.9000 4.8986 .0014 0 -1 1
3.6200 3.6216 -.0016 1 0 1
3.4300 3.4256 .0044 -1 0 1
2.7000 2.7007 -.0007 0 2 2
2.5700 2.5700 -.0000 -1 2 1
2.1400 2.1398 .0002 0 -1 4
2.0500 2.0514 -.0014 -1 -1 3
1.9400 1.9415 -.0015 -1 3 1
1.8300 1.8295 .0005 -2 0 1
1.6300 1.6302 -.0002 1 3 2
A= 3.8711 DA= .0006
B= 6.24262 DB= .00001
C= 9.5901 DC= .001
GAMMA=100.97 DGAMMA= .01
BETA = 86.491 DBETA = .009
ALPHA= 84.6439 DALPHA= .0001
V=225.8
9. 1-0274
Cu+2{OH}PO4
Triklin
Dexp Dcal d(D) h k l
5.8000 5.7887 .0113 -1 0 1
4.8100 4.8110 -.0010 0 1 0
3.7100 3.7107 -.0007 1 0 3
2.9100 2.9083 .0017 2 1 2
2.6300 2.6300 .0000 2 -1 4
2.5500 2.5505 -.0005 3 0 4
2.4100 2.4110 -.0010 2 -2 2
2.3000 2.3002 -.0002 0 -1 4
2.0700 2.0701 -.0001 4 -2 2
1.9100 1.9098 .0002 0 2 3
1.7100 1.7098 .0002 -1 1 5
1.6600 1.6602 -.0002 2 -3 2
A= 10.6950 DA= .0004
B= 5.020 DB= .003
C= 11.319 DC= .004
GAMMA=106.30 DGAMMA= .08
BETA = 63.97 DBETA = .03
ALPHA= 99.94 DALPHA= .09
V= 523.3
Triklin
Dexp Dcal d(D) h k l
5.8000 5.8010 -.0010 0 1 0
4.8100 4.8128 -.0028 0 -1 2
3.7100 3.7079 .0021 -1 1 1
2.9100 2.9107 -.0007 0 -2 1
2.6300 2.6292 .0008 1 -2 1
2.5500 2.5525 -.0025 -1 2 1
2.4100 2.4099 .0001 -1 2 2
2.3000 2.2998 .0002 1 2 0
2.0700 2.0701 -.0001 0 0 7
1.9100 1.9094 .0006 -1 -2 5
1.7100 1.7100 -.0000 1 2 5
1.6600 1.6597 .0003 -1 -3 3
A= 4.62492 DA= .00001
B= 5.9038 DB= .0008
C= 14.5956 DC= .0005
GAMMA= 98.341 DGAMMA= .008
BETA = 91.265 DBETA = .006
ALPHA= 96.50 DALPHA= .01
V= 391.5
10. 1-0297
CuF2*2H2O
Triklin
Dexp Dcal d(D) h k l
4.7300 4.7294 .0006 1 1 0
4.3100 4.3093 .0007 -1 1 1
3.5000 3.4985 .0015 -1 -1 1
2.6600 2.6600 .0000 -2 1 1
2.5700 2.5687 .0013 0 3 2
2.4400 2.4398 .0002 -2 -1 1
2.3400 2.3392 .0008 1 3 2
2.1400 2.1401 -.0001 0 4 1
1.9800 1.9798 .0002 -1 3 3
1.8900 1.8904 -.0004 3 1 0
1.6900 1.6901 -.0001 -1 -3 2
1.6300 1.6298 .0002 -1 5 1
A= 5.822 DA= .001
B= 8.579 DB= .001
C= 6.928 DC= .001
GAMMA= 89.90 DGAMMA= .03
BETA = 91.68 DBETA = .02
ALPHA= 68.1996 DALPHA= .0006
V= 321.1
11. 1-0297
C14H10CuO6*4H2O
Triklin
Dexp Dcal d(D) h k l
14.9000 15.3006 -.4006 0 1 0
13.0000 13.0010 -.0010 0 1 1
9.9000 9.8970 .0030 1 0 0
9.0000 8.9894 .0106 0 -1 1
7.6000 7.6009 -.0009 0 1 2
6.5000 6.4948 .0052 -1 2 0
5.8000 5.7978 .0022 -1 1 2
4.8000 4.8074 -.0074 -1 3 0
4.4800 4.4840 -.0040 -2 0 1
3.5100 3.5091 .0009 2 3 1
3.2500 3.2474 .0026 -2 4 0
3.1200 3.1190 .0010 -3 0 1
A= 10.0421 DA= .0008
B= 16.43 DB= .01
C= 15.395 DC= .009
GAMMA= 95.30 DGAMMA= .01
BETA = 84.15 DBETA = .02
ALPHA= 70.06 DALPHA= .03
V=2354
12. 1-0304
{NH4}2CuF4*2H2O
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
6.6000 6.5684 .0316 0 1 0
5.5000 5.5117 -.0117 2 0 0
4.7000 4.6874 .0126 2 0 1
3.0200 3.0173 .0027 3 1 1
2.5700 2.5707 -.0007 1 2 2
2.4300 2.4293 .0007 2 1 3
2.1400 2.1401 -.0001 5 0 1
1.9700 1.9703 -.0003 2 1 4
1.8800 1.8809 -.0009 3 3 0
1.6000 1.5999 .0001 4 3 2
1.5500 1.5498 .0002 2 4 1
a=11.0233 b= 6.568 c= 8.911
da= .0005 db= .001 dc= .002
V=645.2
13. 1-0311
C12H10CuO8S2*6H2O
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
11.7000 11.7816 -.0816 0 0 1
5.8000 5.8250 -.0250 1 1 1
5.5000 5.5531 -.0531 2 0 0
5.2000 5.2041 -.0041 1 0 2
4.6300 4.6329 -.0029 2 1 0
3.9500 3.9575 -.0075 0 2 1
3.5200 3.5318 -.0118 3 0 1
3.2700 3.2692 .0008 1 2 2
3.0000 2.9957 .0043 2 1 3
2.9100 2.9125 -.0025 2 2 2
2.8100 2.8011 .0089 0 3 0
2.7000 2.7025 -.0025 4 0 1
a=11.11 b= 8.40 c=11.78
da= .04 db= .02 dc= .02
V=1100
Triklin
Dexp Dcal d(D) h k l
11.7000 11.6996 .0004 1 0 0
5.8000 5.8029 -.0029 -1 1 0
5.5000 5.4982 .0018 1 0 2
5.2000 5.1914 .0086 1 1 0
4.6300 4.6335 -.0035 -2 0 2
3.9500 3.9542 -.0042 1 1 2
3.5200 3.5194 .0006 -3 1 0
3.2700 3.2692 .0008 -1 0 4
3.0000 3.0009 -.0009 3 -1 2
2.9100 2.9098 .0002 -1 1 4
2.8100 2.8106 -.0006 -1 2 2
2.7000 2.7007 -.0007 -1 -2 2
A= 11.8736 DA= .0004
B= 6.247 DB= .001
C= 13.2754 DC= .0003
GAMMA= 97.62 DGAMMA= .01
BETA = 96.11 DBETA = .01
ALPHA= 90.441 DALPHA= .002
V=969.9
14. 1-0332
C14H10CuO4*2H2O
Triklin
Dexp Dcal d(D) h k l
6.9000 6.8994 .0006 1 0 0
5.9000 5.8937 .0063 0 0 1
4.5100 4.5098 .0002 0 -2 1
4.0100 4.0103 -.0003 1 2 1
3.5000 3.4996 .0004 2 1 1
3.0700 3.0707 -.0007 2 2 0
2.8400 2.8400 .0000 2 -1 2
2.6200 2.6201 -.0001 -1 3 1
2.4500 2.4498 .0002 -2 -2 1
2.3200 2.3199 .0001 1 5 0
2.1500 2.1500 .0000 -1 -5 1
1.9200 1.9200 .0000 2 -5 2
1.8600 1.8600 -.0000 0 -3 3
A= 7.510 DA= .001
B= 12.1679 DB= .0002
C= 6.4565 DC= .0001
GAMMA= 89.577 DGAMMA= .006
BETA = 66.952 DBETA = .002
ALPHA= 96.484 DALPHA= .006
V= 538.6
15. 1-0410
{NH4}2Cu{SO4}2*6H2O
Triklin
Dexp Dcal d(D) h k l
6.1000 6.1001 -.0001 1 0 0
5.4000 5.3999 .0001 1 1 1
4.1900 4.1913 -.0013 -1 -1 1
3.7400 3.7385 .0015 1 -1 1
3.3800 3.3833 -.0033 -1 0 2
3.0400 3.0400 .0000 2 1 2
2.8200 2.8217 -.0017 2 2 1
2.7000 2.6999 .0001 2 2 2
2.5300 2.5286 .0014 1 -2 1
2.4200 2.4197 .0003 -1 -1 3
2.2100 2.2090 .0010 3 1 1
2.1600 2.1604 -.0004 0 -2 3
A= 6.635 DA= .002
B= 7.208 DB= .002
C= 9.780 DC= .004
GAMMA= 70.20 DGAMMA= .03
BETA = 74.73 DBETA = .01
ALPHA= 78.45 DALPHA= .02
V= 421.3
16. 1-0472
Cu{BO2)2
Rombik
Groupa 50
Dexp. Dcal. d(D) h k l
6.4000 6.4121 -.0121 2 0 0
5.3000 5.3106 -.0106 2 0 1
3.8800 3.8770 .0030 1 1 1
3.1700 3.1633 .0067 1 1 2
2.9100 2.9089 .0011 2 1 2
2.6600 2.6553 .0047 4 0 2
2.5100 2.5179 -.0079 4 1 1
2.3700 2.3691 .0009 0 0 4
2.1700 2.1695 .0005 5 1 1
1.9500 1.9495 .0005 3 2 1
1.7300 1.7309 -.0009 1 1 5
1.5800 1.5794 .0006 0 0 6
1.5500 1.5501 -.0001 6 2 0
1.5300 1.5298 .0002 6 2 1
1.4300 1.4295 .0005 8 0 3
a=12.824 b= 4.503 c= 9.48
da= .009 db= .001 dc= .03
v= 547
Triklin
Dexp Dcal d(D) h k l
6.4000 6.4001 -.0001 1 0 0
5.3000 5.2957 .0043 0 1 1
3.8800 3.8790 .0010 0 -1 1
3.1700 3.1687 .0013 -1 2 1
2.9100 2.9076 .0024 2 1 0
2.6600 2.6600 .0000 0 3 1
2.5100 2.5099 .0001 -2 2 0
2.3700 2.3695 .0005 -1 2 2
2.1700 2.1705 -.0005 1 3 2
1.9500 1.9502 -.0002 -2 0 2
1.7300 1.7299 .0001 2 1 3
1.5800 1.5801 -.0001 -4 1 0
1.5500 1.5500 .0000 -2 2 3
1.5300 1.5300 .0000 1 5 2
1.4300 1.4300 -.0000 0 2 4
A= 6.452 DA= .001
B= 8.0804 DB= .0004
C= 5.7650 DC= .0003
GAMMA= 90.20 DGAMMA= .01
BETA = 83.15 DBETA = .01
ALPHA= 71.520 DALPHA= .002
V= 282.8
17. 1-0492
CuCN
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
3.7800 3.7804 -.0004 0 1 2
3.1800 3.1803 -.0003 1 0 3
3.0200 3.0203 -.0003 1 2 0
2.8900 2.8903 -.0003 3 1 1
2.6200 2.6200 -.0000 1 2 2
2.3500 2.3499 .0001 0 0 4
2.2500 2.2497 .0003 -2 1 3
2.1500 2.1500 .0000 2 2 3
a= 9.822 b= 6.3633 c= 9.610 beta= 77.977
da=.005 db=.0002 dc=.001 dbet=.001
V=587.5
18. 1-0507
K2Cu+2{SO4}2*6H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.0000 6.0009 -.0009 0 1 1
5.3000 5.2995 .0005 1 1 0
4.2100 4.2118 -.0018 2 0 0
3.6800 3.6820 -.0020 2 0 1
3.3000 3.2986 .0014 -1 0 4
2.9900 2.9893 .0007 -2 0 4
2.8300 2.8264 .0036 2 1 2
2.6500 2.6497 .0003 2 2 0
2.5000 2.4992 .0008 -3 0 4
2.3700 2.3705 -.0005 -1 2 4
2.1900 2.1905 -.0005 -1 3 1
2.1200 2.1200 .0000 1 2 4
a= 8.820 b= 6.818 c= 13.24 beta= 107.2
da=.003 db=.006 dc=.09 dbeta=.4
V= 760
Triklin
Dexp Dcal d(D) h k l
6.0000 5.9971 .0029 0 1 1
5.3000 5.2973 .0027 0 -1 1
4.2100 4.2134 -.0034 1 1 0
3.6800 3.6801 -.0001 1 0 1
3.3000 3.3017 -.0017 1 3 0
2.9900 2.9869 .0031 -1 3 0
2.8300 2.8256 .0044 1 4 0
2.6500 2.6486 .0014 0 -2 2
2.5000 2.5007 -.0007 1 3 2
2.3700 2.3712 -.0012 0 -5 1
2.1900 2.1900 -.0000 -1 3 2
2.1200 2.1205 -.0005 -1 -5 1
A= 4.3343 DA= .0001
B= 14.062 DB= .001
C= 6.27463 DC= .00007
GAMMA= 83.249 DGAMMA= .003
BETA = 83.592 DBETA = .003
ALPHA= 79.825 DALPHA= .003
V=372.2
19. 1-0535
NH4-Cu-Cr-O
Triklin
Dexp Dcal d(D) h k l
5.1000 5.1017 -.0017 0 0 1
4.2000 4.2002 -.0002 -1 -1 1
3.5700 3.5673 .0027 0 -2 1
3.3500 3.3506 -.0006 1 -1 1
2.9300 2.9313 -.0013 -2 0 1
2.8200 2.8195 .0005 -2 -1 1
2.6200 2.6169 .0031 -1 -1 2
2.3800 2.3787 .0013 2 2 0
2.3000 2.3001 -.0001 0 3 1
2.2500 2.2516 -.0016 -2 -1 2
2.1600 2.1607 -.0007 1 -1 2
2.0800 2.0798 .0002 0 -4 1
A= 6.1602 DA= .0005
B= 8.5636 DB= .0002
C= 5.376 DC= .001
GAMMA= 89.74 DGAMMA= .01
BETA =105.52710 DBETA = .00004
ALPHA= 99.664 DALPHA= .003
V=269.1
20. 1-0547
CuCr2O7*2H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.7000 6.6672 .0328 1 1 0
5.5000 5.4954 .0046 2 0 0
4.7800 4.7787 .0013 -2 0 1
4.5000 4.4807 .0193 0 0 2
4.2100 4.2141 -.0041 -1 0 2
3.9500 3.9520 -.0020 0 1 2
3.6700 3.6741 -.0041 1 1 2
3.5500 3.5495 .0005 -2 0 2
3.4000 3.4006 -.0006 2 0 2
3.1500 3.1514 -.0014 2 1 2
2.9900 2.9871 .0029 0 0 3
2.7100 2.7092 .0008 -2 2 2
a= 11.001 b= 8.386 c= 8.970 beta= 92.499
da= .003 db= .003 dc=.002 dbeta=.001
V= 826.8
Triklin
Dexp Dcal d(D) h k l
6.7000 6.6974 .0026 0 0 1
5.5000 5.5063 -.0063 -1 -1 1
4.7800 4.7843 -.0043 0 -2 1
4.5000 4.4985 .0015 -1 2 0
4.2100 4.2076 .0024 -2 1 0
3.9500 3.9470 .0030 -2 -1 1
3.6700 3.6678 .0022 2 2 0
3.5500 3.5463 .0037 0 3 0
3.4000 3.4025 -.0025 1 3 0
3.1500 3.1510 -.0010 3 0 0
2.9900 2.9887 .0013 0 1 2
2.7100 2.7101 -.0001 2 -3 1
A= 9.48917 DA= .00008
B= 11.0207 DB= .0005
C= 6.9224 DC= .0002
GAMMA= 85.279 DGAMMA= .001
BETA = 92.8090 DBETA = .0009
ALPHA=104.561 DALPHA= .004
V=698.3
21. 1-0620
CuSO4*H2O
Triklin
Dexp Dcal d(D) h k l
5.1000 5.0990 .0010 -1 1 0
4.8100 4.8067 .0033 0 1 1
4.4300 4.4243 .0057 1 0 2
4.0000 4.0008 -.0008 0 0 3
3.6400 3.6480 -.0080 1 1 1
3.4000 3.4025 -.0025 0 -1 3
3.1500 3.1510 -.0010 -1 1 3
3.0000 3.0006 -.0006 0 0 4
2.8100 2.8124 -.0024 -1 2 0
2.5800 2.5821 -.0021 -3 0 1
2.4700 2.4691 .0009 3 -1 1
2.3500 2.3484 .0016 -2 2 2
A= 7.9889 DA= .0002
B= 5.675 DB= .001
C= 12.1626 DC= .0004
GAMMA=103.64 DGAMMA= .01
BETA = 97.24 DBETA = .01
ALPHA= 93.96 DALPHA= .03
V=528.8
22. 1-0785
CuK3{CN}4
Triklin
Dexp Dcal d(D) h k l
7.4000 7.3927 .0073 1 0 0
4.2200 4.2172 .0028 1 2 0
3.4500 3.4579 -.0079 0 0 1
3.1300 3.1240 .0060 1 0 1
2.7500 2.7444 .0056 1 -2 1
2.5100 2.5081 .0019 1 2 1
2.2200 2.2202 -.0002 -1 4 0
2.0000 2.0004 -.0004 3 0 1
1.8100 1.8094 .0006 3 4 0
1.6900 1.6895 .0005 -3 -4 1
1.5700 1.5702 -.0002 -2 0 2
1.4100 1.4101 -.0001 3 -1 2
A= 7.4297 DA= .0004
B= 9.7639 DB= .0001
C= 3.50055 DC= .00000
GAMMA= 84.303 DGAMMA= .003
BETA = 91.2751 DBETA = .0003
ALPHA= 98.954 DALPHA= .005
V=249.6
Triklin
Dexp Dcal d(D) h k l
7.4000 7.4013 -.0013 1 0 0
4.2200 4.2175 .0025 -1 1 1
3.4500 3.4504 -.0004 1 -1 1
3.1300 3.1305 -.0005 -1 2 0
2.7500 2.7483 .0017 -1 1 2
2.5100 2.5112 -.0012 -2 -2 1
2.2200 2.2196 .0004 0 3 1
2.0000 2.0001 -.0001 2 1 2
1.8100 1.8105 -.0005 4 1 0
1.6900 1.6901 -.0001 -3 1 3
1.5700 1.5702 -.0002 -4 2 2
1.4100 1.4100 .0000 4 0 2
A= 7.634 DA= .001
B= 7.074 DB= .003
C= 5.9541 DC= .0002
GAMMA= 88.01 DGAMMA= .03
BETA =103.933 DBETA = .003
ALPHA= 87.615 DALPHA= .001
V= 311.5
23. 1-0897
Cu-P-O
Triklin
Dexp Dcal d(D) h k l
4.1500 4.1456 .0044 -2 1 0
3.7600 3.7668 -.0068 -1 2 0
3.1000 3.1007 -.0007 1 2 0
2.9600 2.9598 .0002 0 1 1
2.8000 2.8001 -.0001 3 0 0
2.6900 2.6905 -.0005 1 1 1
2.5800 2.5793 .0007 -3 2 0
2.4200 2.4197 .0003 -2 3 0
2.1800 2.1799 .0001 3 -2 1
2.0600 2.0592 .0008 -3 -1 1
1.9800 1.9793 .0007 -3 2 1
1.8200 1.8208 -.0008 -4 1 1
A= 8.7035 DA= .0003
B= 7.7798 DB= .0008
C= 3.5347 DC= .0001
GAMMA=105.130 DGAMMA= .003
BETA = 88.570 DBETA = .002
ALPHA= 99.940 DALPHA= .005
V=227.6