1. 20-0360
Cu14Pb2S9-x
Triklin
Dexp Dcal d(D) h k l
8.5600 8.5520 .0080 1 0 1
5.3400 5.3360 .0040 0 0 2
4.3700 4.3673 .0027 0 -2 1
4.2900 4.2838 .0062 2 -1 1
3.9900 3.9902 -.0002 2 1 0
3.8300 3.8330 -.0030 1 0 3
3.7700 3.7685 .0015 1 2 1
3.7400 3.7360 .0040 0 -2 2
3.6300 3.6297 .0003 -2 0 1
3.3600 3.3599 .0001 -1 2 1
3.3300 3.3302 -.0002 2 -2 1
3.2700 3.2698 .0002 2 -2 2
A= 9.531 DA= .003
B= 9.0137 DB= .0001
C= 11.680 DC= .003
GAMMA= 92.53 DGAMMA= .01
BETA = 67.97 DBETA = .02
ALPHA= 99.96 DALPHA= .01
V=916.3
2. 20-0362
KCuPO4*H2O
Triklin
Dexp Dcal d(D) h k l
10.5000 10.5047 -.0047 1 0 0
5.2400 5.2432 -.0032 0 1 1
4.7600 4.7603 -.0003 0 -1 1
4.3900 4.3931 -.0031 1 0 2
4.2600 4.2616 -.0016 -2 0 2
3.5000 3.5016 -.0016 3 0 0
3.2200 3.2199 .0001 -1 1 3
3.1300 3.1277 .0023 3 0 1
2.9100 2.9110 -.0010 1 1 3
2.8900 2.8894 .0006 -3 1 2
2.8700 2.8697 .0003 0 -1 3
2.8400 2.8411 -.0011 -3 0 3
A= 10.781 DA= .005
B= 5.6683 DB= .0003
C= 11.077 DC= .003
GAMMA= 89.47 DGAMMA= .02
BETA =102.85 DBETA = .01
ALPHA= 83.573 DALPHA= .002
V= 655.4
3. 20-1098
Na6Cu3O2{SO4}4
Triklin
Dexp Dcal d(D) h k l
6.6500 6.6441 .0059 0 1 1
4.9200 4.9226 -.0026 0 -1 1
3.8300 3.8286 .0014 0 2 0
3.3500 3.3504 -.0004 -1 0 1
3.2400 3.2394 .0006 0 -1 2
3.1400 3.1351 .0049 0 -2 1
3.0600 3.0659 -.0059 1 1 2
2.9470 2.9474 -.0004 1 0 2
2.8640 2.8648 -.0008 1 2 0
2.7280 2.7303 -.0023 0 0 3
2.6720 2.6723 -.0003 -1 0 2
2.6190 2.6204 -.0014 -1 1 2
A= 3.8934 DA= .0001
B= 8.086 DB= .007
C= 8.643 DC= .006
GAMMA= 81.93 DGAMMA= .02
BETA = 82.24 DBETA = .01
ALPHA= 72.23 DALPHA= .04
V= 255.3
4. 20-1100
Na2Cu{SO4}2
Triklin
Dexp Dcal d(D) h k l
6.1400 6.1367 .0033 -1 0 1
4.4500 4.4521 -.0021 0 1 0
3.9300 3.9365 -.0065 -1 -1 1
2.5830 2.5817 .0013 -2 1 0
3.8300 3.8279 .0021 -1 0 3
3.6400 3.6385 .0015 0 0 4
3.3700 3.3685 .0015 -2 0 1
3.1600 3.1590 .0010 0 1 3
3.0100 3.0124 -.0024 2 0 3
2.9370 2.9354 .0016 -2 -1 1
2.8200 2.8204 -.0004 2 1 2
2.8200 2.8204 -.0004 2 1 2
A= 7.2145 DA= .0001
B= 4.51834 DB= .00009
C= 14.65887 DC= .00001
GAMMA= 81.262 DGAMMA= .003
BETA = 84.827 DBETA = .001
ALPHA= 93.647 DALPHA= .003
V=469.4
5. 20-1101
Na2Cu{SO4}2
Triklin
Dexp Dcal d(D) h k l
7.5500 7.6015 -.0515 -1 1 0
6.0600 6.0543 .0057 1 1 0
5.2700 5.2560 .0140 1 0 1
4.8400 4.8419 -.0019 2 0 0
4.5900 4.6024 -.0124 -1 2 0
4.4300 4.4388 -.0088 -1 0 1
3.7500 3.7534 -.0034 -1 -1 1
3.5400 3.5363 .0037 1 -2 1
3.4200 3.4204 -.0004 1 2 1
3.2900 3.2855 .0045 -3 1 0
3.2300 3.2279 .0021 3 0 0
3.2300 3.2279 .0021 3 0 0
A= 10.099 DA= .001
B= 9.5267 DB= .0005
C= 5.6354 DC= .0001
GAMMA=102.181 DGAMMA= .001
BETA = 79.687 DBETA = .008
ALPHA= 87.0784 DALPHA= .0002
V=519.7
6. 20-1499
C14H50CuN4O20
Triklin
Dexp Dcal d(D) h k l
11.3000 11.3008 -.0008 1 0 0
8.0200 8.0196 .0004 0 1 0
5.6600 5.6588 .0012 -1 1 1
4.7100 4.7118 -.0018 2 1 0
4.3400 4.3400 .0000 2 1 1
3.7600 3.7669 -.0069 3 0 0
3.7000 3.7027 -.0027 0 0 2
3.6700 3.6689 .0011 1 1 2
3.4700 3.4652 .0048 3 1 0
3.2000 3.2008 -.0008 2 1 2
2.9300 2.9296 .0004 -1 -1 2
2.6900 2.6905 -.0005 -3 2 0
A= 11.311 DA= .005
B= 8.485 DB= .001
C= 7.8291 DC= .0009
GAMMA= 87.80 DGAMMA= .02
BETA = 90.13 DBETA = .03
ALPHA= 71.09 DALPHA= .03
V= 710.1
7. 20-1500
C14H22CuLiO14
Triklin
Dexp Dcal d(D) h k l
10.8000 10.6538 .1462 0 1 0
9.7900 9.7760 .0140 1 0 1
8.3300 8.3058 .0242 0 1 1
8.1800 8.1832 -.0032 0 -1 1
7.7400 7.7214 .0186 -1 0 1
7.4800 7.4732 .0068 1 1 1
6.3000 6.3219 -.0219 1 0 2
5.7400 5.7306 .0094 2 0 1
5.5900 5.5689 .0211 1 1 2
4.9600 4.9595 .0005 1 2 0
4.4700 4.4653 .0047 -1 -2 1
4.1800 4.1853 -.0053 1 2 2
A= 11.7434 DA= .0008
B= 10.68545 DB= .00002
C= 13.3921 DC= .0008
GAMMA= 85.6843 DGAMMA= .0006
BETA = 76.391 DBETA = .001
ALPHA= 88.148 DALPHA= .002
V=1628.1
8. 20-1605
C8H20Br2CuNO
Monoklin
GRUPA 3,6,10
Dexp. Dcal. d(D) h k l
7.9000 7.8926 .0074 1 1 0
6.9700 6.9731 -.0031 -1 1 1
6.3300 6.3196 .0104 1 1 1
5.6900 5.6974 -.0074 -1 0 2
4.7700 4.7738 -.0038 -1 2 1
3.3700 3.3711 -.0011 3 0 1
2.7500 2.7497 .0003 -1 3 3
2.6700 2.6700 .0000 4 1 0
2.5200 2.5200 .0000 2 4 0
2.4000 2.4000 .0000 -1 1 5
a= 11.114 b=11.343 c= 12.31041 beta=98.597
da=.004 db=.002 dc=.00001 dbet=.008
V=1534.6
9. 20-1606
C8H20Cl2CuN2O
Rombik
Groupa 31,59
romb.
Dexp. Dcal. d(D) h k l
6.8600 6.8699 -.0099 0 2 0
6.2000 6.2014 -.0014 1 2 0
4.9800 4.9724 .0076 2 2 0
3.4900 3.4853 .0047 4 1 0
3.3100 3.3149 -.0049 3 3 0
3.1100 3.1007 .0093 2 4 0
2.8100 2.8098 .0002 0 3 1
2.7000 2.6993 .0007 1 5 0
2.5300 2.5317 -.0017 4 0 1
2.2400 2.2397 .0003 5 0 1
a=14.412 b=13.74 c= 3.558
da= .005 db= .02 dc= .003
V= 704.6
10. 20-1607
C8H14Cl2CuN2O2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.6300 9.6143 .0157 0 0 1
7.9400 7.9420 -.0020 1 1 0
4.9700 4.9713 -.0013 0 2 1
4.4600 4.4636 -.0036 1 2 1
4.2800 4.2807 -.0007 2 1 1
4.0300 4.0259 .0041 1 1 2
3.7000 3.7032 -.0032 0 2 2
3.5900 3.5917 -.0017 0 3 1
3.4400 3.4365 .0035 -1 3 1
2.9800 2.9802 -.0002 -3 2 1
a= 10.908 b= 11.62 c= 9.64 beta= 93.8
da= .001 db=.02 dc= .02 dbeta=.1
V= 1218
11. 20-1608
C10H10Cl2CuN2
Triklin
Dexp Dcal d(D) h k l
8.1200 8.1200 .0000 1 0 0
7.3200 7.3177 .0023 0 -1 1
5.8700 5.8686 .0014 -1 0 1
4.6500 4.6506 -.0006 0 -1 2
4.1300 4.1258 .0042 0 -2 1
3.7600 3.7579 .0021 -2 1 0
3.4300 3.4305 -.0005 2 1 0
3.2100 3.2091 .0009 -2 1 1
2.7200 2.7197 .0003 -2 -2 1
2.5400 2.5396 .0004 0 3 0
2.3500 2.3516 -.0016 1 3 0
2.2200 2.2198 .0002 0 3 1
A= 8.1939 DA= .0004
B= 8.3346 DB= .0006
C= 9.5197 DC= .0002
GAMMA= 97.530 DGAMMA= .003
BETA = 85.551 DBETA = .004
ALPHA=113.134 DALPHA= .006
V= 592.50
12. 20-1609
C4H7Cl2CuNO
Triklin
Dexp Dcal d(D) h k l
9.4700 9.4797 -.0097 0 1 0
8.2600 8.2609 -.0009 1 0 0
5.1600 5.1638 -.0038 0 -1 2
4.7000 4.6992 .0008 -1 2 0
4.4600 4.4588 .0012 -1 0 2
4.1000 4.0995 .0005 0 2 1
4.0300 4.0306 -.0006 -1 2 1
3.7800 3.7801 -.0001 1 1 2
3.7000 3.7000 -.0000 1 2 0
3.5500 3.5490 .0010 1 -1 3
3.2800 3.2801 -.0001 -1 0 3
2.9800 2.9803 -.0003 2 -1 3
A= 8.638 DA= .006
B= 10.051 DB= .004
C= 11.236 DC= .001
GAMMA=106.67 DGAMMA= .02
BETA = 83.61 DBETA = .01
ALPHA=101.46 DALPHA= .05
V= 914.3
13. 20-1610
C24H42Cl2CuN6O14
Triklin
Dexp Dcal d(D) h k l
11.0000 10.9895 .0105 1 0 0
9.6300 9.6314 -.0014 -1 1 0
8.9100 8.9077 .0023 0 0 1
6.8700 6.8803 -.0103 1 1 0
6.4600 6.4673 -.0073 -1 0 1
6.2000 6.2130 -.0130 0 1 1
5.7100 5.7084 .0016 0 2 0
5.1000 5.1023 -.0023 2 -2 1
4.2800 4.2815 -.0015 0 2 1
4.1200 4.1201 -.0001 2 -2 2
3.8000 3.7975 .0025 0 1 2
3.7000 3.7003 -.0003 -2 2 1
3.5800 3.5794 .0006 3 0 1
3.1900 3.1905 -.0005 1 -1 3
3.0200 3.0198 .0002 1 -4 2
A= 12.0518 DA= .0004
B= 12.923 DB= .002
C= 9.644 DC= .001
GAMMA=112.78 DGAMMA= .02
BETA = 74.59 DBETA = .01
ALPHA=110.95 DALPHA= .03
V= 1279.2
14. 20-1611
C30H54Cl2CuN6O14
Triklin
Dexp Dcal d(D) h k l
10.4000 10.3849 .0151 1 0 0
8.5800 8.5942 -.0142 0 1 1
8.2600 8.2420 .0180 0 -1 1
7.3700 7.3743 -.0043 1 1 1
6.5600 6.5705 -.0105 1 -1 1
6.1200 6.1095 .0105 1 0 2
5.5700 5.5684 .0016 1 1 2
5.1600 5.1619 -.0019 2 0 1
4.9200 4.9199 .0001 1 2 1
4.2800 4.2802 -.0002 1 2 2
4.1200 4.1210 -.0010 0 -2 2
4.1000 4.1005 -.0005 -2 1 1
A= 10.62 DA= .001
B= 10.9647 DB= .0006
C= 13.50 DC= .01
GAMMA= 83.62 DGAMMA= .03
BETA = 79.27 DBETA = .05
ALPHA= 86.43 DALPHA= .01
V= 1534.4
15. 20-1612
C54H46Cl3CuP3Sn
Triklin
Dexp Dcal d(D) h k l
10.4000 10.3985 .0015 1 0 0
9.3000 9.3247 -.0247 0 1 0
8.0000 8.0185 -.0185 0 1 1
7.4000 7.3993 .0007 1 0 1
6.3000 6.3033 -.0033 1 1 0
5.9000 5.8689 .0311 1 -1 1
5.2000 5.1992 .0008 2 0 0
4.6000 4.5985 .0015 2 0 1
4.3100 4.3179 -.0079 2 -1 1
4.1500 4.1481 .0019 -2 1 2
4.0500 4.0511 -.0011 -1 -1 2
3.9000 3.9003 -.0003 1 2 1
A= 10.7267 DA= .0009
B= 9.780 DB= .001
C= 11.6797 DC= .0009
GAMMA=103.553 DGAMMA= .008
BETA = 97.050 DBETA = .004
ALPHA= 77.461 DALPHA= .004
V=1157.9
1. 21-0276
beta-CuAlO2
Triklin
Dexp Dcal d(D) h k l
4.1200 4.1239 -.0039 -1 1 1
3.7400 3.7425 -.0025 2 0 0
3.1800 3.1766 .0034 -1 -1 1
2.9400 2.9402 -.0002 1 1 1
2.7600 2.7620 -.0020 -2 1 2
2.6800 2.6799 .0001 0 1 2
2.4700 2.4716 -.0016 -1 -1 2
2.2500 2.2492 .0008 2 1 1
2.1000 2.0995 .0005 -2 1 3
2.0200 2.0219 -.0019 1 2 0
1.9400 1.9399 .0001 -4 1 2
1.9000 1.9004 -.0004 -1 -1 3
A= 8.1990 DA= .0001
B= 4.80897 DB= .00001
C= 6.7284 DC= .0005
GAMMA=108.4378 DGAMMA= .0008
BETA =107.365 DBETA = .002
ALPHA= 82.272 DALPHA= .001
V=240.0
2. 21-0277
C6H13CuNO6
Triklin
Dexp Dcal d(D) h k l
11.8000 11.7974 .0026 1 0 0
9.2800 9.2801 -.0001 0 1 0
6.5400 6.5399 .0001 -1 0 1
5.8900 5.8987 -.0087 2 0 0
5.0500 5.0468 .0032 -2 1 0
4.4800 4.4796 .0004 -2 0 1
4.0300 4.0361 -.0061 2 -2 2
3.7000 3.7010 -.0010 -2 2 0
3.4200 3.4223 -.0023 0 -1 3
2.9700 2.9705 -.0005 1 3 0
2.6300 2.6298 .0002 -2 -1 3
2.5600 2.5599 .0001 -2 -2 3
A= 12.4177 DA= .0003
B= 10.2873 DB= .0006
C= 10.832 DC= .002
GAMMA= 99.18 DGAMMA= .01
BETA = 71.8959 DBETA = .0005
ALPHA=115.521 DALPHA= .008
V= 1186.4
3. 21-0283
6H20Br4Cu2O14
Triklin
Dexp Dcal d(D) h k l
9.6400 9.6186 .0214 0 1 1
8.3000 8.3201 -.0201 1 1 0
7.1000 7.1002 -.0002 0 -1 1
5.9600 5.9661 -.0061 0 0 2
5.7700 5.7656 .0044 -1 1 0
4.8000 4.8040 -.0040 1 2 2
4.5900 4.5940 -.0040 -1 1 2
4.5400 4.5396 .0004 2 1 0
4.1700 4.1686 .0014 2 2 1
3.9900 3.9905 -.0005 -1 2 0
3.8700 3.8700 .0000 1 1 3
3.8000 3.7980 .0020 0 2 3
3.6300 3.6296 .0004 -1 -2 2
3.5600 3.5603 -.0003 2 3 1
3.4900 3.4898 .0002 -2 -1 2
A= 9.104 DA= .002
B= 12.351 DB= .008
C= 12.521 DC= .005
GAMMA= 68.49 DGAMMA= .02
BETA = 85.96 DBETA = .02
ALPHA= 72.54 DALPHA= .04
V= 1248.3
4. 21-0284
CuxCl4{OH}z*2H2O
Triklin
Dexp Dcal d(D) h k l
7.6800 7.6846 -.0046 0 0 1
7.0200 7.0154 .0046 0 1 0
6.7600 6.7320 .0280 -1 1 1
6.5900 6.6033 -.0133 0 1 1
6.3500 6.3316 .0184 -1 0 1
5.6100 5.6077 .0023 1 0 1
4.5400 4.5495 -.0095 -2 1 0
4.3900 4.4035 -.0135 0 -1 1
4.1700 4.1682 .0018 1 -1 1
3.8500 3.8423 .0077 0 0 2
3.7100 3.7186 -.0086 -1 0 2
3.6800 3.6835 -.0035 -2 1 2
A= 10.142 DA= .006
B= 8.186 DB= .002
C= 8.644 DC= .001
GAMMA=111.72 DGAMMA= .03
BETA =105.49 DBETA = .04
ALPHA= 63.62 DALPHA= .01
V=592.8
5. 21-0292
Cu{MnO4}2*2H2O
Triklin
Dexp Dcal d(D) h k l
6.6600 6.6613 -.0013 0 0 1
4.9500 4.9485 .0015 0 -2 1
4.3700 4.3704 -.0004 1 0 0
4.1200 4.1239 -.0039 -1 1 0
4.0800 4.0789 .0011 0 -3 1
3.9500 3.9491 .0009 1 0 1
3.9400 3.9491 -.0091 1 0 1
3.8600 3.8666 -.0066 0 4 1
3.7000 3.7019 -.0019 1 -1 1
3.5900 3.5795 .0105 1 3 1
3.4400 3.4436 -.0036 0 5 0
3.3000 3.2981 .0019 -1 3 0
A= 4.4693 DA= .0006
B= 17.558 DB= .003
C= 6.8316 DC= .0001
GAMMA= 81.940 DGAMMA= .001
BETA = 79.8941 DBETA = .0004
ALPHA= 80.8553 DALPHA= .0002
V=517.5
6. 21-0298
Cu3{PO4}2
Triklin
Dexp Dcal d(D) h k l
5.8100 5.8165 -.0065 1 1 0
5.0100 5.0121 -.0021 -1 1 0
4.2700 4.2754 -.0054 -1 1 2
4.0600 4.0552 .0048 -1 0 2
3.6800 3.6833 -.0033 0 0 2
3.6000 3.6009 -.0009 2 0 0
3.5500 3.5487 .0013 -1 2 2
3.2000 3.1990 .0010 -1 -1 2
3.1200 3.1193 .0007 -2 1 0
3.0600 3.0619 -.0019 0 -2 1
2.9400 2.9394 .0006 0 -1 2
2.9400 2.9394 .0006 0 -1 2
A= 7.9658 DA= .0001
B= 8.7742 DB= .0006
C= 8.7715 DC= .0002
GAMMA= 91.384 DGAMMA= .007
BETA =113.909 DBETA = .006
ALPHA= 68.232 DALPHA= .004
V=513.8
7. 21-0300
CuPO3
Triklin
Dexp Dcal d(D) h k l
4.5600 4.5617 -.0017 1 0 0
4.0400 4.0400 -.0000 -1 1 0
3.9000 3.9008 -.0008 0 0 1
3.6200 3.6234 -.0034 1 1 0
3.1800 3.1796 .0004 0 1 1
2.9400 2.9407 -.0007 1 1 1
2.4000 2.4001 -.0001 2 -1 1
2.2500 2.2496 .0004 1 2 1
2.0700 2.0701 -.0001 1 0 2
1.8000 1.8001 -.0001 0 1 2
1.6200 1.6200 .0000 1 2 2
1.4900 1.4900 .0000 3 -2 2
1.3200 1.3200 .0000 1 -3 3
1.0100 1.0100 .0000 -4 4 0
A= 4.9516 DA= .0001
B= 7.1929 DB= .0007
C= 4.2668 DC= .0005
GAMMA=101.03 DGAMMA= .01
BETA = 68.090 DBETA = .004
ALPHA=103.09 DALPHA= .02
V= 136.37
8. 21-0301
C8H12CuK2O8
Triklin
Dexp Dcal d(D) h k l
11.6000 11.6654 -.0654 1 0 0
9.5800 9.5657 .0143 -1 1 0
8.3300 8.3357 -.0057 0 0 1
7.8800 7.8782 .0018 1 -1 1
7.4800 7.5013 -.0213 0 -1 1
6.3000 6.2836 .0164 0 1 1
5.8900 5.8901 -.0001 1 -2 0
5.3200 5.3099 .0101 0 -2 1
5.0200 5.0195 .0005 2 -2 1
3.8500 3.8497 .0003 0 -3 1
3.6300 3.6327 -.0027 -1 0 2
3.2200 3.2199 .0001 -1 -2 2
A= 12.73 DA= .01
B= 12.663 DB= .002
C= 8.9726 DC= .0008
GAMMA=108.19 DGAMMA= .02
BETA = 71.008 DBETA = .002
ALPHA=105.60 DALPHA= .02
V=1275.8
9. 21-0306
CuSnF6
Triklin
Dexp Dcal d(D) h k l
4.2500 4.2535 -.0035 -1 1 1
4.0800 4.0747 .0053 1 1 1
3.8600 3.8553 .0047 1 0 2
3.7000 3.7035 -.0035 2 0 0
2.7870 2.7863 .0007 2 -1 1
2.7320 2.7299 .0021 -1 2 0
2.6950 2.6961 -.0011 -1 -2 3
2.6270 2.6319 -.0049 -1 2 1
2.5680 2.5690 -.0010 -3 0 2
2.2780 2.2776 .0004 -2 -2 4
2.2440 2.2439 .0001 -2 -1 5
2.1660 2.1662 -.0002 0 -1 5
A= 7.921 DA= .006
B= 6.33876 DB= .00007
C= 11.724 DC= .003
GAMMA= 79.67 DGAMMA= .02
BETA =109.66 DBETA = .01
ALPHA=101.97 DALPHA= .01
V=539.0
10. 21-0747
C20H34CuO20Rb4
Triklin
Dexp Dcal d(D) h k l
10.8000 10.8071 -.0071 1 0 0
7.6100 7.6113 -.0013 1 1 0
6.0500 6.0480 .0020 0 1 1
5.3600 5.3616 -.0016 -1 -1 1
5.0700 5.0771 -.0071 -1 1 1
4.3400 4.3367 .0033 -2 -1 1
3.7600 3.7610 -.0010 -1 0 2
3.5800 3.5804 -.0004 0 -2 1
3.4200 3.4183 .0017 -1 -1 2
3.2300 3.2322 -.0022 3 1 1
3.0200 3.0205 -.0005 2 0 2
2.5600 2.5585 .0015 4 1 1
A= 11.145 DA= .001
B= 8.7882 DB= .0002
C= 7.813 DC= .008
GAMMA= 76.872 DGAMMA= .006
BETA = 94.06 DBETA = .05
ALPHA= 85.24 DALPHA= .04
V= 739.5
11. 21-0998
Cu{PO3}2
Triklin
Dexp Dcal d(D) h k l
6.4900 6.4994 -.0094 1 0 0
5.9900 5.9976 -.0076 1 1 0
5.4800 5.4787 .0013 1 0 1
4.5300 4.5242 .0058 0 0 2
4.0900 4.1039 -.0139 -1 1 0
3.6900 3.6931 -.0031 1 1 2
3.4400 3.4353 .0047 -1 -2 1
3.3400 3.3321 .0079 0 -2 1
3.2500 3.2497 .0003 2 0 0
3.1400 3.1422 -.0022 1 -1 2
2.9500 2.9465 .0035 -1 1 2
2.9000 2.8979 .0021 1 2 2
A= 6.994 DA= .002
B= 7.607 DB= .001
C= 9.074 DC= .001
GAMMA= 68.75 DGAMMA= .02
BETA = 86.00 DBETA = .03
ALPHA= 90.09 DALPHA= .07
V= 448.6
12. 21-1524
12H14CuN2O4S
Triklin
Dexp Dcal d(D) h k l
13.3000 13.3543 -.0543 1 0 0
6.6100 6.5929 .0171 -1 1 0
5.0000 5.0001 -.0001 0 0 1
4.4500 4.4514 -.0014 3 0 0
3.7500 3.7544 -.0044 -2 0 1
3.6100 3.6090 .0010 0 1 1
3.5400 3.5389 .0011 1 1 1
3.4200 3.4195 .0005 1 2 0
3.3400 3.3386 .0014 4 0 0
3.1300 3.1318 -.0018 -4 1 0
2.8910 2.8912 -.0002 3 1 1
2.7250 2.7231 .0019 -3 1 1
2.6720 2.6718 .0002 4 -2 1
2.5270 2.5271 -.0001 1 2 1
2.3840 2.3846 -.0006 -2 2 1
A= 13.619 DA= .009
B= 7.704 DB= .001
C= 5.362 DC= .002
GAMMA= 97.88 DGAMMA= .01
BETA = 79.72 DBETA = .04
ALPHA=109.62 DALPHA= .01
V= 519.7
13. 21-1590
C7H7CuO
Triklin
Dexp Dcal d(D) h k l
10.9000 10.9111 -.0111 1 0 0
10.0000 9.9906 .0094 1 1 0
8.7300 8.7306 -.0006 1 1 1
8.0400 8.0384 .0016 1 0 1
7.2600 7.2309 .0291 0 2 1
6.5100 6.5119 -.0019 0 1 2
5.6700 5.6809 -.0109 0 2 2
5.2900 5.2880 .0020 1 0 2
4.9200 4.9175 .0025 -2 -1 1
4.6900 4.6912 -.0012 -1 2 2
4.1100 4.1111 -.0011 -1 3 1
3.9900 3.9906 -.0006 0 -2 2
A= 11.3461 DA= .0009
B= 15.459 DB= .005
C= 13.123 DC= .006
GAMMA= 74.19 DGAMMA= .01
BETA = 86.24 DBETA = .03
ALPHA= 69.75 DALPHA= .03
V= 2076.7
14. 21-1591
C8H22Cl2CuN2
Triklin
Dexp Dcal d(D) h k l
7.3000 7.2948 .0052 0 1 0
6.5100 6.5141 -.0041 -1 0 1
4.8100 4.8015 .0085 0 -1 2
4.5700 4.5709 -.0009 -1 0 2
4.1900 4.1907 -.0007 -2 1 0
3.9000 3.8928 .0072 2 -1 1
3.7600 3.7608 -.0008 -1 -1 2
3.5600 3.5593 .0007 -1 2 1
3.2300 3.2286 .0014 0 2 1
2.9200 2.9196 .0004 -2 -1 1
2.7000 2.6979 .0021 -3 2 0
2.5500 2.5496 .0004 1 -1 4
A= 8.420 DA= .004
B= 8.260 DB= .002
C= 10.7762 DC= .0005
GAMMA=115.021 DGAMMA= .001
BETA = 91.213 DBETA = .002
ALPHA=101.19 DALPHA= .02
V= 661.7
15. 21-1592
C2H6ClCuF2NP
Triklin
Dexp Dcal d(D) h k l
12.1000 12.1001 -.0001 0 0 1
11.0000 10.9995 .0005 1 0 0
8.0000 7.9996 .0004 0 1 1
7.1000 7.1000 .0000 0 -1 1
6.2000 6.2000 -.0000 -1 1 0
4.0700 4.0700 -.0000 -2 1 2
3.3600 3.3600 .0000 2 2 2
3.7500 3.7500 .0000 -3 0 2
A= 12.443 DA= .002
B= 10.268 DB= .007
C= 12.863 DC= .008
GAMMA= 70.01 DGAMMA= .03
BETA =108.61 DBETA = .03
ALPHA= 90.03 DALPHA= .01
V= 1452.9
16. 21-1593
C4H12ClCuF4N2P2
Monoklin
GRUPA 4,11
Monoklin
Dexp. Dcal. d(D) h k l
8.4000 8.3982 .0018 -1 0 1
6.9400 6.9547 -.0147 0 1 1
5.7100 5.7187 -.0087 2 0 0
4.8700 4.8800 -.0100 2 1 0
4.0300 4.0306 -.0006 1 1 2
3.6200 3.6218 -.0018 2 2 0
2.9500 2.9558 -.0058 3 2 0
2.7900 2.7900 .0000 -1 2 3
a=11.59 b= 9.360 c= 10.5307 beta=99.32
da=.01 db=.001 dc=.0005 dbet=.01
V=1124.5
Triklin
Dexp Dcal d(D) h k l
8.4000 8.4003 -.0003 1 0 0
6.9400 6.9397 .0003 0 1 1
5.7100 5.7103 -.0003 0 -1 1
4.8700 4.8696 .0004 -1 -1 1
4.0300 4.0300 -.0000 0 0 2
3.6200 3.6199 .0001 1 2 1
2.9500 2.9501 -.0001 2 2 0
2.7900 2.7900 -.0000 -2 3 2
A= 8.881 DA= .001
B= 10.318 DB= .001
C= 8.556 DC= .003
GAMMA=103.40 DGAMMA= .01
BETA =106.12 DBETA = .01
ALPHA= 75.655 DALPHA= .003
V=718.5
17. 21-1594
C8H28Cl2CuN4
Triklin
Dexp Dcal d(D) h k l
8.3100 8.3102 -.0002 1 0 0
5.6800 5.6766 .0034 0 1 0
3.8600 3.8606 -.0006 1 1 1
3.3700 3.3687 .0013 -2 1 1
3.0500 3.0518 -.0018 2 -1 1
2.9100 2.9110 -.0010 2 1 1
2.7800 2.7808 -.0008 -1 1 2
2.5400 2.5406 -.0006 1 2 1
2.3400 2.3399 .0001 0 -1 2
2.1100 2.1100 -.0000 -1 -2 1
1.9100 1.9099 .0001 -4 0 1
1.8000 1.8000 -.0000 -2 1 3
1.7500 1.7498 .0002 4 0 2
1.4500 1.4500 .0000 -3 4 1
1.4100 1.4100 -.0000 5 1 2
A= 8.583 DA= .001
B= 6.055 DB= .002
C= 5.982 DC= .006
GAMMA=103.85 DGAMMA= .02
BETA = 89.40 DBETA = .01
ALPHA= 75.53 DALPHA= .06
V= 291.5
18. 21-1595
4H14Cl2CuN2
Triklin
Dexp Dcal d(D) h k l
5.9200 5.9218 -.0018 -1 0 1
5.2800 5.2788 .0012 -1 1 1
4.1600 4.1613 -.0013 1 -1 1
3.8200 3.8228 -.0028 -1 -1 1
3.6200 3.6214 -.0014 0 0 2
3.4300 3.4308 -.0008 -1 0 2
3.2700 3.2747 -.0047 0 2 1
3.0900 3.0955 -.0055 -2 -1 1
2.7900 2.7879 .0021 3 -1 1
2.5900 2.5943 -.0043 -3 1 2
2.2700 2.2702 -.0002 3 1 2
2.2500 2.2494 .0006 -2 -2 1
A= 10.128 DA= .008
B= 6.8501 DB= .0001
C= 7.4831 DC= .0008
GAMMA=102.04 DGAMMA= .01
BETA = 94.45 DBETA = .04
ALPHA= 75.524 DALPHA= .008
V= 491.5
19. 21-1597
C20H20Cl2CuN4O4
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
8.2700 8.0373 .2327 0 0 2
7.3900 7.4022 -.0122 1 0 1
6.9400 6.8658 .0742 0 1 1
5.8300 5.7869 .0431 1 0 2
5.3300 5.3582 -.0282 0 0 3
4.5900 4.6027 -.0127 1 1 2
4.3700 4.3780 -.0080 0 1 3
4.1700 4.1695 .0005 2 0 0
4.0200 4.0186 .0014 0 0 4
3.7000 3.7011 -.0011 2 0 2
a= 8.339 b= 7.593 c=16.07
da= .008 db= .006 dc= .02
V=1018
20. 21-1601
C12H8CuN2O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.3400 9.3059 .0342 1 1 0
8.1200 8.1113 .0087 1 0 1
6.9200 6.9150 .0050 1 1 1
5.7300 5.7305 -.0005 2 0 1
5.2500 5.2584 -.0084 2 1 1
4.6400 4.6397 .0003 0 0 2
4.4100 4.4097 .0003 0 3 0
3.5300 3.5305 -.0005 3 2 1
3.4400 3.4402 -.0002 -2 1 2
3.0400 3.0400 .0000 -1 3 2
2.3870 2.3869 .0001 5 1 2
a= 13.22 b= 13.23 c=9.37 beta= 82.14
da=.02 db=.01 dc=.01 dbeta=.06
V= 1622
21. 21-1602
C16H16CuN2O2
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
7.3400 7.3096 .0304 0 1 1
6.1600 6.1268 .0332 1 0 1
5.4800 5.4705 .0095 1 1 1
4.9600 4.9617 -.0017 -1 0 2
4.5900 4.5934 -.0034 -1 1 2
4.2200 4.2192 .0008 2 0 1
4.0000 3.9857 .0143 2 1 1
3.6400 3.6415 -.0015 -2 2 2
3.6100 3.6151 -.0051 1 1 2
3.3800 3.3784 .0016 1 3 1
3.2600 3.2641 -.0041 3 2 0
3.1600 3.1587 .0013 -2 1 3
2.9000 2.9027 -.0027 4 0 0
2.7200 2.7212 -.0012 1 4 1
a= 12.59 b= 12.149 c= 9.924 beta= 112.75
da=.01 db=.001 dc=.002 dbet=.06
V=1407.2
Triklin
Dexp Dcal d(D) h k l
7.3400 7.3033 .0367 0 1 1
6.1600 6.1603 -.0003 0 -1 1
5.4800 5.4790 .0010 -1 0 1
4.9600 4.9578 .0022 1 0 1
4.5900 4.5844 .0056 -1 1 1
4.2200 4.2206 -.0006 -1 1 2
4.0000 3.9982 .0018 1 -1 1
3.6400 3.6421 -.0021 -1 1 3
3.6100 3.6099 .0001 0 -1 3
3.3800 3.3794 .0006 0 1 4
3.2600 3.2594 .0006 0 2 3
3.1600 3.1599 .0001 1 2 1
2.9000 2.9009 -.0009 1 -2 1
2.7200 2.7207 -.0007 1 2 3
A= 5.678 DA= .003
B= 7.779 DB= .003
C= 14.0915 DC= .0001
GAMMA= 90.565 DGAMMA= .008
BETA = 98.10 DBETA = .01
ALPHA= 78.61 DALPHA= .05
V= 604.0
22. 21-1603
C6H5Cu
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.7100 9.7441 -.0341 1 0 0
6.8600 6.8554 .0046 1 1 0
5.2500 5.2321 .0179 0 0 1
4.6000 4.5992 .0008 0 1 1
4.3300 4.3227 .0073 1 2 0
4.1500 4.1467 .0033 -2 0 1
3.8300 3.8331 -.0031 1 1 1
3.5500 3.5463 .0037 0 2 1
3.4300 3.4277 .0023 2 2 0
3.1500 3.1534 -.0034 -3 0 1
3.0000 2.9973 .0027 -3 1 1
2.6400 2.6393 .0007 -3 2 1
a= 10.09 b= 9.646 c= 5.420 beta= 105.14
da=.02 db=.002 dc=.004 dbeta=.06
V= 509.5
Triklin
Dexp Dcal d(D) h k l
9.7100 9.7149 -.0049 1 0 0
6.8600 6.8594 .0006 1 1 0
5.2500 5.2418 .0082 0 0 1
4.6000 4.5954 .0046 1 0 1
4.3300 4.3407 -.0107 0 1 1
4.1500 4.1476 .0024 1 2 0
3.8300 3.8365 -.0065 -1 2 0
3.5500 3.5465 .0035 2 0 1
3.4300 3.4297 .0003 2 2 0
3.1500 3.1448 .0052 3 1 0
3.0000 3.0000 -.0000 -1 2 1
2.6400 2.6382 .0018 0 -3 1
A= 9.769 DA= .001
B= 8.812 DB= .004
C= 5.260 DC= .001
GAMMA= 83.97 DGAMMA= .01
BETA = 91.033 DBETA = .001
ALPHA= 94.77 DALPHA= .01
V= 448.7
23. 21-1605
C7H7Cu
Triklin
Dexp Dcal d(D) h k l
12.6000 12.5944 .0056 1 0 0
10.4000 10.4387 -.0387 0 1 0
9.3700 9.3759 -.0059 0 -1 1
8.6400 8.6475 -.0075 -1 0 1
7.0600 7.0582 .0018 1 1 0
6.5600 6.5605 -.0005 -1 -1 1
6.2200 6.2534 -.0334 1 -1 2
5.6800 5.6652 .0148 1 -2 1
5.1300 5.1320 -.0020 2 -1 2
4.7100 4.7113 -.0013 -1 1 2
4.4200 4.4181 .0019 1 -1 3
4.0400 4.0390 .0010 -2 1 2
A= 13.405 DA= .001
B= 11.4750 DB= .0002
C= 13.4530 DC= .0004
GAMMA=109.5590 DGAMMA= .0009
BETA = 80.2236 DBETA = .0009
ALPHA=107.4184 DALPHA= .0006
V=1856.9
24. 21-1607
C7H7Cu
Triklin
Dexp Dcal d(D) h k l
10.2000 10.1959 .0041 0 1 1
9.3100 9.2981 .0119 1 0 1
8.0800 8.0864 -.0064 0 -1 1
7.2000 7.1890 .0110 1 -1 1
6.0100 6.0069 .0031 1 2 0
5.7900 5.7935 -.0035 -1 2 0
5.1900 5.1846 .0054 2 0 1
5.0100 5.0104 -.0004 0 3 0
4.5200 4.5207 -.0007 -1 -2 1
4.2200 4.2191 .0009 1 1 3
3.8300 3.8296 .0004 0 1 3
3.5300 3.5302 -.0002 0 4 2
A= 10.4897 DA= .0006
B= 15.6486 DB= .0004
C= 12.6599 DC= .0009
GAMMA= 81.479 DGAMMA= .002
BETA = 65.171 DBETA = .003
ALPHA= 73.995 DALPHA= .001
V=1811.5
25. 21-1608
C7H7Cu
Triklin
Dexp Dcal d(D) h k l
9.8300 9.8322 -.0022 1 0 0
8.7000 8.7061 -.0061 0 1 1
7.1400 7.1357 .0043 0 -1 1
6.5400 6.5418 -.0018 1 0 2
6.1000 6.1050 -.0050 -1 1 0
5.2000 5.2022 -.0022 2 1 1
4.9000 4.9006 -.0006 1 1 3
4.6000 4.5923 .0077 0 1 3
4.3100 4.3124 -.0024 -2 0 1
4.1200 4.1201 -.0001 2 2 2
3.8900 3.8898 .0002 2 2 0
3.6200 3.6193 .0007 -2 0 2
A= 10.681 DA= .002
B= 10.1050 DB= .0007
C= 15.143 DC= .003
GAMMA= 72.05 DGAMMA= .01
BETA = 71.412 DBETA = .007
ALPHA= 73.163 DALPHA= .006
V= 1439.9
26. 21-1609
12H30Br2CuN2O6
Triklin
Dexp Dcal d(D) h k l
6.2000 6.1994 .0006 -1 0 1
4.5700 4.5611 .0089 0 1 1
4.2300 4.2203 .0097 0 -1 1
3.8900 3.8887 .0013 1 1 0
3.7000 3.6998 .0002 1 1 1
3.4900 3.4912 -.0012 -1 1 2
3.1000 3.0997 .0003 -2 0 2
2.8600 2.8600 .0000 -2 0 3
2.6900 2.6906 -.0006 1 0 4
2.5000 2.4998 .0002 -2 1 0
2.4300 2.4295 .0005 0 1 5
2.2800 2.2806 -.0006 0 2 2
2.2200 2.2202 -.0002 -2 -1 4
2.1100 2.1101 -.0001 0 -2 2
2.0600 2.0600 .0000 2 0 4
A= 6.42228 DA= .00004
B= 4.688 DB= .001
C= 13.613 DC= .001
GAMMA= 86.628 DGAMMA= .003
BETA =102.03 DBETA = .01
ALPHA= 83.767 DALPHA= .006
V= 397.0