1. 22-0041
NH4CuF3
Triklin
Dexp Dcal d(D) h k l
4.7200 4.7173 .0027 1 1 0
4.2600 4.2602 -.0002 1 1 1
3.8700 3.8717 -.0017 1 -1 1
3.0400 3.0405 -.0005 1 2 1
2.8700 2.8719 -.0019 2 0 1
2.1400 2.1400 .0000 -1 2 1
1.9400 1.9402 -.0002 3 1 1
1.9100 1.9092 .0008 -2 2 0
1.8800 1.8801 -.0001 0 -3 2
1.7700 1.7691 .0009 3 2 2
1.7100 1.7105 -.0005 3 2 0
1.6300 1.6295 .0005 2 -3 2
A= 5.862 DA= .002
B= 7.3173 DB= .0002
C= 5.880 DC= .003
GAMMA= 79.081 DGAMMA= .002
BETA = 65.14 DBETA = .03
ALPHA= 91.25 DALPHA= .01
V= 223.2
2. 22-0044
H4CuPO4
Triklin
Dexp Dcal d(D) h k l
9.5000 9.4979 .0021 1 0 0
9.3000 9.3237 -.0237 0 0 1
4.9400 4.9364 .0036 0 -2 1
4.6900 4.6923 -.0023 1 2 1
4.6100 4.6086 .0014 -1 2 1
4.4800 4.4790 .0010 1 0 2
4.3100 4.3120 -.0020 2 1 0
3.6900 3.6919 -.0019 1 2 2
3.5100 3.5099 .0001 -2 2 1
3.2500 3.2503 -.0003 -1 -3 1
3.2300 3.2308 -.0008 -2 3 0
3.2100 3.2100 .0000 0 3 2
A= 9.64576 DA= .00005
B= 12.336 DB= .007
C= 9.471 DC= .008
GAMMA= 93.96 DGAMMA= .01
BETA = 81.101 DBETA = .002
ALPHA= 85.87 DALPHA= .05
V= 1106.8
3. 22-0045
NH4CuPO4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.3000 9.3806 -.0806 -1 0 1
4.9400 4.9358 .0042 3 0 0
4.6900 4.6903 -.0003 -2 0 2
4.6100 4.6189 -.0089 -3 0 1
4.5000 4.5006 -.0007 2 0 2
3.7000 3.7019 -.0019 4 0 0
3.5100 3.5149 -.0049 -2 0 3
3.2600 3.2599 .0001 0 2 0
3.2200 3.2192 .0008 4 1 0
3.1400 3.1405 -.0005 0 2 1
3.0000 3.0004 -.0004 3 0 3
2.9300 2.9275 .0025 0 0 4
a= 14.821 b= 6.520 c= 11.721 beta= 92.42
da= .005 db= .003 dc=.008 dbeta=.08
V= 1131.5
Triklin
Dexp Dcal d(D) h k l
9.3000 9.2740 .0260 0 1 0
4.9400 4.9387 .0013 1 0 1
4.6900 4.6854 .0046 0 -1 2
4.6100 4.6080 .0020 -1 -1 1
4.5000 4.5096 -.0096 0 0 2
3.7000 3.6981 .0019 -1 -1 2
3.5100 3.5113 -.0013 1 0 2
3.2600 3.2606 -.0006 0 -3 1
3.2200 3.2204 -.0004 -2 1 0
3.1400 3.1419 -.0019 -1 -2 2
3.0000 2.9961 .0039 0 -2 3
2.9300 2.9293 .0007 1 1 2
A= 6.469 DA= .003
B= 10.060 DB= .002
C= 9.517 DC= .001
GAMMA=103.45 DGAMMA= .07
BETA = 90.757 DBETA = .005
ALPHA=107.89 DALPHA= .08
V= 570.8
4. 22-0228
CuBCl2N
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
6.4100 6.3606 .0494 0 0 2
4.2300 4.2404 -.0104 0 0 3
3.4500 3.4496 .0004 0 2 3
3.3200 3.3216 -.0016 1 1 0
2.9900 2.9887 .0013 1 2 0
2.6800 2.6808 -.0008 1 0 3
2.1700 2.1690 .0010 0 4 4
2.1200 2.1202 -.0002 0 0 6
2.0700 2.0706 -.0006 0 5 3
2.0200 2.0198 .0002 1 1 5
1.7300 1.7300 .0000 2 0 0
a= 3.460 b=11.86 c=12.721
da= .001 db= .01 dc= .004
v= 522.2
5. 22-0229
CuBClN
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
4.2100 4.2039 .0061 0 0 2
3.4400 3.4269 .0131 1 1 0
3.3200 3.3328 -.0128 0 1 1
2.9800 2.9753 .0047 2 1 0
2.6700 2.6724 -.0024 3 0 2
2.1700 2.1695 .0005 1 1 3
2.1100 2.1119 -.0019 4 1 0
2.0600 2.0602 -.0002 1 0 4
2.0200 2.0166 .0034 5 0 1
1.7300 1.7310 -.0010 6 0 0
a=10.3861 b= 3.630 c= 8.4078
da= .0008 db= .008 dc= .0003
V= 317.0
6. 22-0239
CuLa2O4
Rombik
Groupa 56
Dexp. Dcal. d(D) h k l
3.6600 3.6632 -.0032 2 0 0
3.3400 3.3543 -.0143 1 2 1
3.2900 3.2698 .0202 0 2 2
2.8760 2.8725 .0035 2 1 2
2.7060 2.7016 .0044 2 2 0
2.6800 2.6745 .0055 0 1 4
2.1920 2.1987 -.0067 2 2 3
2.1630 2.1600 .0030 2 1 4
1.8310 1.8316 -.0006 4 0 0
1.7550 1.7556 -.0006 2 4 0
1.7440 1.7431 .0009 4 0 2
1.6440 1.6450 -.0010 2 1 6
1.5930 1.5925 .0005 2 4 3
a= 7.326 b= 8.0009 c=11.35
da= .005 db= .0005 dc= .02
V= 665
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.6600 3.6575 .0025 2 1 0
3.3400 3.3394 .0006 1 0 2
3.2900 3.2885 .0015 0 0 2
2.8760 2.8761 -.0001 1 2 1
2.7060 2.7059 .0001 -1 2 1
2.6800 2.6801 -.0001 3 1 0
2.1920 2.1924 -.0004 0 0 3
2.1630 2.1628 .0002 -1 2 2
1.8310 1.8309 .0001 1 3 2
1.7550 1.7550 -.0000 3 3 0
1.7440 1.7441 -.0001 4 2 2
1.6440 1.6438 .0002 3 3 2
1.5930 1.5931 -.0001 0 4 1
a= 9.043 b= 6.5680 c= 6.754 beta= 76.86
da= .003 db= .0001 dc= .001 dbeta=.03
V= 390.7
7. 22-0253
Cu{SCN}2
Triklin
Dexp Dcal d(D) h k l
5.9400 5.9488 -.0088 0 1 1
5.5000 5.4860 .0140 -1 0 1
5.0900 5.0954 -.0054 0 -1 1
4.2700 4.2691 .0009 -1 1 0
3.7200 3.7173 .0027 0 -1 2
3.2800 3.2818 -.0018 1 1 2
3.2000 3.2034 -.0034 -1 0 3
3.0600 3.0558 .0042 -1 1 3
2.9280 2.9291 -.0011 -2 0 1
2.8550 2.8553 -.0003 1 2 0
2.7440 2.7430 .0010 -2 0 2
2.6570 2.6558 .0012 1 1 3
B= 6.5761 DB= .0004
C= 10.546 DC= .005
GAMMA= 90.49 DGAMMA= .03
BETA =100.48 DBETA = .04
ALPHA= 80.30 DALPHA= .01
V= 395.7
8. 22-0504
NH4}4{CuH6Mo6O24}*5H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.9000 10.8824 .0176 1 0 0
7.9600 7.9558 .0042 1 1 0
7.2200 7.2162 .0038 1 0 1
5.7300 5.7349 -.0049 -2 0 1
5.0500 5.0505 -.0005 -1 2 1
3.7300 3.7285 .0015 -3 0 2
3.1100 3.1079 .0021 3 1 1
3.0400 3.0393 .0007 1 3 2
2.7900 2.7901 -.0001 3 0 2
2.7200 2.7206 -.0006 4 0 0
2.6400 2.6424 -.0024 1 3 3
1.8700 1.8701 -.0001 2 4 4
a= 11.53 b= 11.660 c= 13.62 beta= 109.2
da= .01 db=.008 dc=.03 dbeta=.1
V= 1728
9. 22-0524
Ca2Cu
Rombik
Groupa 61
Dexp. Dcal. d(D) h k l
7.2400 7.2217 .0183 2 0 0
5.6300 5.6445 -.0145 1 0 2
3.1600 3.1630 -.0030 2 1 0
3.1100 3.1115 -.0015 4 0 2
2.9850 2.9858 -.0008 1 1 2
2.8110 2.8110 -.0000 2 1 2
2.6230 2.6224 .0006 1 1 3
2.5860 2.5862 -.0002 3 0 4
2.4690 2.4684 .0006 4 1 1
2.3330 2.3328 .0002 3 1 3
a=14.4434 b= 3.518 c=12.264
da= .0003 db= .001 dc= .003
V= 623.2
10. 22-0525
CaCu
Triklin
Dexp Dcal d(D) h k l
5.4900 5.4933 -.0033 -1 1 0
4.4900 4.4855 .0045 0 1 1
3.8600 3.8593 .0007 0 -1 1
2.8580 2.8599 -.0019 2 0 0
2.7350 2.7334 .0016 -1 3 1
2.3050 2.3056 -.0006 0 1 2
2.1280 2.1279 .0001 1 -4 1
1.9390 1.9391 -.0001 2 -1 2
1.8690 1.8689 .0001 -2 -2 1
1.6820 1.6821 -.0001 3 2 0
1.4650 1.4649 .0001 3 3 2
1.4340 1.4339 .0001 -2 7 0
A= 5.9342 DA= .0004
B= 10.6952 DB= .0002
C= 4.6870 DC= .0002
GAMMA= 99.501 DGAMMA= .001
BETA = 79.7203 DBETA = .0008
ALPHA= 80.342 DALPHA= .004
V= 282.6
11. 22-0548
Cu3{PO4}2*3H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.9000 9.9596 -.0596 0 1 0
6.9000 6.9108 -.0108 1 1 0
4.8000 4.7986 .0014 2 0 0
4.3200 4.3188 .0012 1 0 2
3.9000 3.9004 -.0004 2 0 2
3.3400 3.3377 .0023 -2 1 1
3.0200 3.0200 .0000 3 1 2
2.6500 2.6516 -.0016 0 0 3
2.5400 2.5391 .0009 4 0 2
2.4900 2.4899 .0001 0 4 0
2.4100 2.4101 -.0001 1 4 0
2.3400 2.3405 -.0005 0 2 3
a= 10.424 b= 9.959 c= 8.6405 beta= 67.01
da= .007 db=.001 dc= .0002 dbeta=.03
V= 825.9
Triklin
Dexp Dcal d(D) h k l
9.9000 10.2077 -.3077 0 1 0
6.9000 6.9013 -.0013 1 0 0
4.8000 4.8006 -.0006 0 1 1
4.3200 4.3216 -.0016 0 -1 1
3.9000 3.8981 .0019 1 -1 1
3.3400 3.3380 .0020 -2 2 0
3.0200 3.0166 .0034 2 1 0
2.6500 2.6487 .0013 2 1 1
2.5400 2.5400 -.0000 2 2 0
2.4900 2.4917 -.0017 -1 4 1
2.4100 2.4104 -.0004 0 4 1
2.3400 2.3404 -.0004 2 2 1
A= 7.208 DA= .001
B= 10.754 DB= .001
C= 5.1187 DC= .0001
GAMMA=106.77 DGAMMA= .01
BETA = 91.679 DBETA = .008
ALPHA= 82.2946 DALPHA= .0008
V= 376.5
12. 22-0602
C3H6Cl2CuO3
Triklin
Dexp Dcal d(D) h k l
8.0400 8.0554 -.0154 1 0 0
7.5000 7.4987 .0013 0 1 0
5.8700 5.8625 .0075 0 1 1
5.5700 5.5738 -.0038 -1 1 1
5.2800 5.2734 .0066 1 -1 1
4.0400 4.0277 .0123 2 0 0
3.9700 3.9751 -.0051 -1 2 0
3.7100 3.7085 .0015 -1 2 1
3.6300 3.6387 -.0087 2 0 1
3.5100 3.5083 .0017 0 2 1
3.2400 3.2445 -.0045 -2 2 1
A= 8.611 DA= .003
B= 8.020 DB= .003
C= 8.955 DC= .001
GAMMA=110.66 DGAMMA= .03
BETA = 92.387 DBETA = .008
ALPHA= 87.01 DALPHA= .02
V= 577.8
13. 22-0605
CuI
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
3.2500 3.2525 -.0025 2 0 1
3.1400 3.1397 .0003 3 1 0
2.7900 2.7922 -.0022 1 3 0
2.6400 2.6391 .0009 3 0 1
2.5200 2.5182 .0018 2 3 0
2.0000 2.0007 -.0007 2 4 0
1.9120 1.9120 .0000 2 1 2
1.8290 1.8292 -.0002 3 4 0
1.7180 1.7179 .0001 1 5 0
a=10.0967 b= 8.7166 c= 4.2528
da= .0003 db= .0009 dc= .0001
V= 374.29
14. 22-0607
Cu2MoO5
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.3600 7.3617 -.0017 1 1 0
4.1400 4.1251 .0149 0 0 2
4.0000 3.9926 .0074 2 0 1
3.8600 3.8588 .0012 1 2 1
3.7400 3.7384 .0016 -2 0 2
3.6800 3.6809 -.0009 2 2 0
3.5400 3.5446 -.0046 1 0 2
3.4500 3.4418 .0082 0 3 0
3.3700 3.3692 .0008 -3 1 1
3.3200 3.3144 .0056 3 1 0
3.1200 3.1265 -.0065 -1 3 1
3.0800 3.0836 -.0036 -3 0 2
a= 10.8562 b= 10.325 c= 8.531 beta= 104.74
da= .0003 db=.003 dc=.002 dbeta=.06
V= 924.8
Triklin
Dexp Dcal d(D) h k l
7.3600 7.3533 .0067 1 0 0
4.1400 4.1383 .0017 2 0 1
4.0000 3.9952 .0048 0 -2 1
3.8600 3.8509 .0091 0 2 0
3.7400 3.7410 -.0010 2 1 0
3.6800 3.6767 .0033 2 0 0
3.5400 3.5360 .0040 1 1 2
3.4500 3.4482 .0018 2 -1 1
3.3700 3.3718 -.0018 1 2 1
3.3200 3.3254 -.0054 0 -2 2
3.1200 3.1213 -.0013 2 2 0
3.0800 3.0815 -.0015 -1 2 0
A= 8.3751 DA= .0005
B= 8.219 DB= .003
C= 9.053 DC= .003
GAMMA= 81.230 DGAMMA= .008
BETA = 65.94 DBETA = .03
ALPHA=102.99 DALPHA= .03
V= 532.9
15. 22-0608
CuMo4O15
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.6200 4.6222 -.0022 -1 1 1
4.4800 4.4861 -.0061 0 1 2
3.4700 3.4733 -.0033 -2 0 1
3.3800 3.3809 -.0009 2 1 0
3.3000 3.2980 .0020 1 2 0
3.1400 3.1376 .0024 -2 1 1
2.8900 2.8922 -.0022 2 0 3
2.6900 2.6896 .0004 2 1 3
2.6300 2.6307 -.0007 0 2 3
2.5500 2.5491 .0009 -1 0 4
2.4500 2.4485 .0015 3 0 2
2.4000 2.4008 -.0008 3 1 0
a= 7.697 b= 7.316 c= 11.47 beta= 82.1
da=.008 db=.009 dc=.01 dbeta=.1
V= 639.6
16. 22-1087
C4H12CuN3O4
Triklin
Dexp Dcal d(D) h k l
5.9000 5.9190 -.0190 0 1 1
5.2700 5.2788 -.0088 0 -1 1
5.0800 5.0783 .0017 1 1 0
4.6500 4.6368 .0132 -1 0 1
4.4700 4.4699 .0001 1 0 1
4.3000 4.2785 .0215 1 1 1
4.1400 4.1369 .0031 -1 -1 1
3.9500 3.9680 -.0180 -1 1 1
3.6300 3.6287 .0013 1 2 0
3.5900 3.5775 .0125 0 1 2
3.4800 3.4723 .0077 0 -2 1
3.3600 3.3686 -.0086 1 2 1
A= 5.7884 DA= .0002
B= 8.4597 DB= .0004
C= 7.55644 DC= .00008
GAMMA= 81.6965 DGAMMA= .0004
BETA = 91.2352 DBETA = .0009
ALPHA= 83.677 DALPHA= .002
V=363.5
17. 22-1089
C2CuO4*H2O
Tetragon
Groupa 100,117,127
Dexp. Dcal. d(D) h k l
5.2800 5.3108 -.0308 1 1 0
4.8400 4.8402 -.0002 1 1 1
3.9300 3.9203 .0097 0 0 3
3.6000 3.5774 .0226 2 0 1
2.9500 2.9403 .0097 0 0 4
2.6600 2.6554 .0046 2 2 0
2.5700 2.5723 -.0023 1 1 4
2.2100 2.2124 -.0024 2 1 4
2.0500 2.0512 -.0012 3 2 1
a= 7.51 c= 11.76
da= .01 dc= .02
V= 663.4
18. 22-1325
{AgCu}0.8Bi2.2S5
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.6000 5.5999 .0001 2 1 0
4.5200 4.5234 -.0034 1 2 1
4.3000 4.2980 .0020 2 2 0
4.0000 4.0006 -.0006 3 1 0
3.8100 3.8099 .0001 2 2 1
3.6100 3.6073 .0027 2 0 2
3.4800 3.4790 .0010 -1 3 1
3.4100 3.4110 -.0010 1 3 1
3.3200 3.3188 .0012 -3 0 2
3.1400 3.1442 -.0042 3 2 1
2.9600 2.9621 -.0021 1 0 3
2.8300 2.8311 -.0011 1 4 0
a= 12.848 b= 11.6128 c= 9.40 beta= 95.71
da= .004 db= .0001 dc=.01 dbeta=.09
V= 1395.7
Triklin
Dexp Dcal d(D) h k l
5.6000 5.6008 -.0008 1 0 0
4.5200 4.5199 .0001 -1 1 2
4.3000 4.2967 .0033 1 1 0
4.0000 3.9961 .0039 -1 -1 1
3.8100 3.8068 .0032 -1 2 1
3.6100 3.6221 -.0121 -1 1 3
3.4800 3.4806 -.0006 1 1 2
3.4100 3.4065 .0035 -1 -1 2
3.3200 3.3180 .0020 1 -1 2
3.1400 3.1415 -.0015 1 -2 1
2.9600 2.9596 .0004 1 0 3
2.8300 2.8304 -.0004 -1 -1 3
A= 5.806 DA= .004
B= 8.663 DB= .008
C= 12.211 DC= .005
GAMMA=102.52 DGAMMA= .03
BETA =102.04 DBETA = .05
ALPHA= 72.55 DALPHA= .07
V= 565.2
19. 22-1679
26H32CuN2O2
Triklin
Dexp Dcal (D) h k l
10.8000 10.8558 -.0558 1 0 0
9.3900 9.3715 .0185 0 1 0
8.6000 8.6245 -.0245 0 1 1
7.9600 7.9320 .0280 -1 0 1
6.7100 6.7217 -.0117 1 0 1
6.5400 6.5424 -.0024 1 1 0
5.9300 5.9193 .0107 1 1 1
5.7400 5.7369 .0031 0 -1 1
5.4100 5.4101 -.0001 -2 1 1
5.1700 5.1628 .0072 -1 2 1
4.8800 4.8730 .0070 0 0 2
4.6800 4.6857 -.0057 0 2 0
A= 11.416 DA= .003
B= 10.541 DB= .004
C= 10.937 DC= .003
GAMMA=105.40 DGAMMA= .04
BETA =104.93 DBETA = .06
ALPHA= 64.62 DALPHA= .01
V=1131.3
20. 22-1680
C8H12CuFN1O3S
Triklin
Dexp Dcal d(D) h k l
7.9300 7.9046 .0254 0 1 1
7.4000 7.3820 .0180 0 -1 1
6.4100 6.4087 .0013 1 0 1
6.0000 6.0029 -.0029 -1 0 1
5.4200 5.4152 .0048 1 1 2
4.9100 4.9050 .0050 1 1 3
4.2300 4.2284 .0016 -1 1 2
4.0800 4.0770 .0030 0 2 1
3.8600 3.8586 .0014 1 0 5
3.6900 3.6910 -.0010 0 -2 2
3.5900 3.5904 -.0004 1 -1 4
3.4800 3.4815 -.0015 0 1 6
A= 6.657 DA= .002
B= 8.372 DB= .007
C= 22.351 DC= .003
GAMMA= 77.73 DGAMMA= .04
BETA = 81.66 DBETA = .01
ALPHA= 82.40 DALPHA= .02
V= 1197.7
21. 22-1681
C8H12CuF2N4O6S2
Triklin
Dexp Dcal d(D) h k l
8.8400 8.8498 -.0098 0 1 1
8.0400 8.0597 -.0197 1 0 1
7.0200 7.0267 -.0067 0 -1 1
6.3700 6.3664 .0036 0 0 2
6.0200 6.0235 -.0035 1 1 2
5.5400 5.5386 .0014 -1 1 1
5.2100 5.2042 .0058 2 1 1
4.8400 4.8483 -.0083 2 0 0
4.6700 4.6680 .0020 2 0 1
4.1500 4.1486 .0014 1 -1 2
4.0200 4.0187 .0013 1 0 3
3.8000 3.8002 -.0002 -2 -2 1
A= 10.642 DA= .001
B= 11.058 DB= .004
C= 13.347 DC= .001
GAMMA= 66.16 DGAMMA= .04
BETA = 78.89 DBETA = .02
ALPHA= 73.26 DALPHA= .04
V=1369.9
22. 22-1683
32H15ClCuN8
Triklin
Dexp Dcal d(D) h k l
13.4000 13.3996 .0004 0 0 1
12.4000 12.4009 -.0009 1 0 0
9.2300 9.2293 .0007 1 0 1
8.9800 8.9787 .0013 -1 0 1
5.9300 5.9300 -.0000 2 1 0
5.5300 5.5341 -.0041 1 1 2
4.1200 4.1201 -.0001 0 -3 1
3.9400 3.9394 .0006 2 2 2
3.6700 3.6700 .0000 3 -1 1
3.5800 3.5801 -.0001 -3 -2 1
3.5400 3.5402 -.0002 3 1 2
3.3500 3.3499 .0001 0 0 4
3.0600 3.0599 .0001 3 1 3
A= 12.5330 DA= .0003
B= 13.0635 DB= .0004
C= 13.40549 DC= .00002
GAMMA= 81.832 DGAMMA= .002
BETA = 88.527 DBETA = .003
ALPHA= 90.609 DALPHA= .005
V=2171.1
23. 22-1684
C32H15ClCuN8
Triklin
Dexp Dcal d(D) h k l
13.0000 13.0325 -.0325 0 1 0
9.3000 9.2999 .0001 -1 0 1
9.0400 9.0311 .0089 -1 1 1
5.7700 5.7696 .0004 1 -1 1
4.1500 4.1493 .0007 2 -1 1
4.0000 3.9995 .0005 -2 -1 2
3.7000 3.7006 -.0006 3 0 0
3.6900 3.6900 -.0000 -2 0 3
3.5600 3.5592 .0008 1 0 3
3.4900 3.4902 -.0002 2 -2 1
3.4300 3.4298 .0002 -1 4 1
3.3000 3.3001 -.0001 0 1 4
3.2500 3.2503 -.0003 -2 2 4
3.1800 3.1801 -.0001 -3 2 0
A= 11.428 DA= .001
B= 14.5740 DB= .0004
C= 13.945 DC= .006
GAMMA= 94.66 DGAMMA= .04
BETA =103.65 DBETA = .02
ALPHA= 63.46 DALPHA= .02
V= 2018.4
24. 22-1685
C16H12CuN2O6
Triklin
Dexp Dcal d(D) h k l
8.6100 8.6075 .0025 1 0 0
7.6900 7.6812 .0088 0 1 1
7.1400 7.1406 -.0006 0 -1 1
6.0300 6.0354 -.0054 0 2 0
5.2300 5.2302 -.0002 1 1 2
4.9100 4.9068 .0032 0 -2 1
4.5100 4.5058 .0042 1 2 2
4.2800 4.2760 .0040 1 -2 1
3.8400 3.8406 -.0006 0 2 2
3.5600 3.5598 .0002 2 3 2
3.2600 3.2626 -.0026 3 2 1
3.2000 3.1993 .0007 1 4 1
A= 10.158 DA= .002
B= 12.8657 DB= .0007
C= 10.660 DC= .002
GAMMA= 70.21 DGAMMA= .01
BETA = 61.70 DBETA = .02
ALPHA= 77.12 DALPHA= .01
V=1151.5
25. 22-1686
C32H16CuN8
Tetragon
Groupa 105,112,131
Dexp. Dcal. d(D) h k l
13.2000 13.0421 .1579 0 0 1
12.1000 12.0824 .0176 1 0 0
8.9300 8.8634 .0666 1 0 1
6.5500 6.5210 .0290 0 0 2
6.0200 6.0412 -.0212 2 0 0
5.7100 5.7386 -.0286 1 0 2
5.5000 5.4817 .0183 2 0 1
4.0900 4.0906 -.0006 1 0 3
a= 12.08 c= 13.04
da= .01 dc= .03
v=1903.9
26. 22-1687
C22H38CuO4
Triklin
Dexp Dcal d(D) h k l
9.6600 9.6436 .0164 1 0 0
7.8400 7.8464 -.0064 -1 1 1
7.1500 7.1500 -.0000 -1 0 1
5.8200 5.8203 -.0003 0 -1 1
5.4700 5.4582 .0118 1 1 1
4.9300 4.9239 .0061 1 -1 1
4.8000 4.7928 .0072 -2 1 0
4.4200 4.4158 .0042 1 2 0
4.1200 4.1201 -.0001 2 1 0
4.0200 4.0214 -.0014 0 -2 1
3.8800 3.8845 -.0045 2 0 1
3.7300 3.7300 .0000 -1 3 2
A= 10.326 DA= .007
B= 12.430 DB= .008
C= 9.638 DC= .007
GAMMA=107.66 DGAMMA= .01
BETA =107.45 DBETA = .01
ALPHA= 65.10 DALPHA= .05
V= 1047.9
27. 22-1688
32H12Cl4CuN8
Triklin
Dexp Dcal d(D) h k l
14.0000 14.0218 -.0218 0 1 0
13.4000 13.3983 .0017 1 0 0
10.0000 9.9964 .0036 0 1 1
9.3200 9.3241 -.0041 0 -1 1
6.1700 6.1704 -.0004 0 1 2
6.0000 5.9998 .0002 2 -1 1
4.9800 4.9800 -.0000 -2 1 1
4.6500 4.6500 -.0000 2 2 2
4.4800 4.4799 .0001 1 3 0
4.1400 4.1399 .0001 0 -1 3
3.8600 3.8600 .0000 -1 0 3
A= 14.1414 DA= .0008
B= 14.0936 DB= .0004
C= 14.0368 DC= .0001
GAMMA= 85.812 DGAMMA= .003
BETA = 71.5420 DBETA = .0005
ALPHA= 84.899 DALPHA= .003
V= 2640.05
1. 23-0201
CH2Cl2CuO
Groupa 19
Rombik
Dexp. Dcal. d(D) h k l
9.3100 9.3011 .0089 1 1 0
8.1200 8.1023 .0177 2 0 0
3.4300 3.4301 -.0001 2 3 0
3.2600 3.2608 -.0008 0 3 1
3.0800 3.0875 -.0075 0 1 2
2.8850 2.8851 -.0001 2 1 2
2.7970 2.7970 .0000 1 4 0
2.5640 2.5640 .0000 1 4 1
2.4300 2.4316 -.0016 6 1 1
2.3380 2.3403 -.0023 3 4 1
2.2490 2.2497 -.0007 1 5 0
2.0670 2.0661 .0009 6 0 2
a=16.20 b=11.358 c= 6.416
da= .03 db= .003 dc= .006
V=1181
Triklin
Dexp Dcal d(D) h k l
9.3100 9.2959 .0141 0 1 0
8.1200 8.1184 .0016 1 0 0
3.4300 3.4302 -.0002 2 1 0
3.2600 3.2606 -.0006 2 -1 2
3.0800 3.0795 .0005 2 0 2
2.8850 2.8858 -.0008 2 -3 1
2.7970 2.7965 .0005 0 -3 2
2.5640 2.5637 .0003 2 -1 3
2.4300 2.4298 .0002 1 -3 3
2.3380 2.3379 .0001 -3 -1 1
2.2490 2.2492 -.0002 2 2 2
2.0670 2.0670 -.0000 -3 2 2
A= 8.4463 DA= .0002
B= 9.8438 DB= .0008
C= 8.844 DC= .001
GAMMA=105.298 DGAMMA= .003
BETA = 81.959 DBETA = .001
ALPHA=103.403 DALPHA= .005
V=687.5
2. 23-0226
CuTeO4
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
5.1600 5.1906 -.0306 -1 1 2
4.7900 4.8177 -.0277 -2 1 2
3.7400 3.7410 -.0010 -3 0 3
3.5900 3.5864 .0036 -4 0 2
3.3900 3.3929 -.0029 2 2 1
3.3700 3.3746 -.0046 -4 1 1
3.1300 3.1290 .0010 4 1 0
2.9430 2.9433 -.0003 3 0 2
2.9430 2.9431 -.0001 0 2 3
2.9370 2.9431 -.0061 0 2 3
2.7520 2.7519 .0001 4 1 1
2.6540 2.6547 -.0007 5 0 0
a= 14.594 b= 9.395 c= 12.455 beta= 114.56
da= .002 db=.005 dc=.02 dbet=.06
V=1539.9
Triklin
Dexp Dcal d(D) h k l
5.1600 5.1654 -.0054 1 0 1
4.7900 4.7832 .0068 1 1 1
3.7400 3.7425 -.0025 -1 -1 1
3.5900 3.5965 -.0065 2 1 1
3.3900 3.3897 .0003 2 0 1
3.3700 3.3694 .0006 2 0 0
3.1300 3.1262 .0038 2 2 0
2.9430 2.9444 -.0014 0 2 1
2.7520 2.7529 -.0009 -1 2 0
2.6540 2.6532 .0008 0 -1 2
2.5840 2.5827 .0013 2 0 2
2.5400 2.5404 -.0004 3 1 1
A= 7.693 DA= .005
B= 7.779 DB= .001
C= 5.9017 DC= .0008
GAMMA= 67.18 DGAMMA= .06
BETA = 71.63 DBETA = .02
ALPHA= 85.67 DALPHA= .05
V=308.2
3. 23-0476
K2Cu4O{SO4}4
Triklin
Dexp Dcal d(D) h k l
8.9200 8.9386 -.0186 0 1 1
7.6900 7.6707 .0193 1 0 0
6.6000 6.6012 -.0012 0 -1 1
6.5400 6.5391 .0009 -1 0 1
6.4400 6.4432 -.0032 1 1 0
5.2700 5.2526 .0174 1 1 1
4.7500 4.7570 -.0070 1 -1 1
4.5900 4.5869 .0031 0 0 2
4.5200 4.5230 -.0030 0 3 1
4.2000 4.2012 -.0012 -1 3 1
3.9600 3.9587 .0013 0 -1 2
3.8600 3.8625 -.0025 -2 1 1
A= 7.887 DA= .005
B= 13.886 DB= .008
C= 9.911 DC= .004
GAMMA= 97.58 DGAMMA= .04
BETA =102.97 DBETA = .03
ALPHA= 70.630 DALPHA= .004
V= 995.9
4. 23-0477
alfa-K2Cu4O{SO4}4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.9300 8.8809 .0491 1 1 0
7.6900 7.6997 -.0097 -1 0 1
6.9200 6.9136 .0064 0 0 2
6.7600 6.7444 .0156 2 0 1
6.5900 6.6118 -.0218 -1 1 1
6.1000 6.0938 .0062 0 1 2
4.9400 4.9448 -.0048 -1 2 1
4.8900 4.8884 .0016 -2 0 1
4.4600 4.4555 .0045 3 0 1
4.3400 4.3404 -.0004 0 1 3
4.1900 4.1821 .0079 3 1 2
3.9000 3.8961 .0039 -2 2 1
a= 13.49 b=12.90 c= 15.2386 beta= 65.14
da=.01 db=.01 dc=.0006 dbeta=.06
V= 2407
Triklin
Dexp Dcal d(D) h k l
8.9300 8.9263 .0037 0 1 1
7.6900 7.6953 -.0053 1 1 0
6.9200 6.8905 .0295 0 -1 1
6.7600 6.7494 .0106 0 2 0
6.5900 6.5835 .0065 1 0 1
6.1000 6.1074 -.0074 -1 2 1
4.9400 4.9381 .0019 1 2 1
4.8900 4.8922 -.0022 0 -2 1
4.4600 4.4632 -.0032 0 2 2
4.3400 4.3385 .0015 2 0 1
4.1900 4.1902 -.0002 -2 -1 1
3.9000 3.8970 .0030 -2 3 1
A= 10.7629 DA= .0003
B= 14.315 DB= .005
C= 9.924 DC= .009
GAMMA=101.68 DGAMMA= .01
BETA =100.35 DBETA = .04
ALPHA= 72.761 DALPHA= .001
V= 1418.3
5. 23-0817
Ba5Cu5F22
Triklin
Dexp Dcal d(D) h k l
5.9300 5.9249 .0051 2 1 0
4.7700 4.7717 -.0017 1 -1 1
4.1000 4.0989 .0011 -1 -3 1
4.0400 4.0386 .0014 1 -2 1
3.9600 3.9571 .0029 3 1 0
3.8700 3.8702 -.0002 0 -3 1
3.3300 3.3307 -.0007 0 4 0
3.2800 3.2802 -.0002 -3 -3 1
3.2500 3.2521 -.0021 -2 -4 1
3.1800 3.1789 .0011 2 3 1
3.1300 3.1288 .0012 0 -4 1
3.0100 3.0101 -.0001 0 -1 2
A= 11.975 DA= .001
B= 14.4221 DB= .0003
C= 6.0734 DC= .0001
GAMMA= 69.386 DGAMMA= .007
BETA = 96.673 DBETA = .006
ALPHA=100.972 DALPHA= .003
V=963.4
6. 23-0818
Ba2Cu7F18
Triklin
Dexp Dcal d(D) h k l
5.6000 5.5951 .0049 0 -1 1
5.4500 5.4483 .0017 0 1 2
5.1400 5.1489 -.0089 -1 -1 1
4.7400 4.7429 -.0029 -3 1 2
4.5700 4.5649 .0051 -1 2 0
4.4600 4.4597 .0003 -2 1 3
4.2000 4.1980 .0020 2 0 1
4.1100 4.1105 -.0005 -3 2 1
4.0400 4.0407 -.0007 -2 2 0
3.8800 3.8803 -.0003 -3 0 2
3.7500 3.7505 -.0005 0 -1 2
3.6700 3.6703 -.0003 -2 3 3
A= 14.615 DA= .003
B= 11.5619 DB= .0009
C= 13.88084 DC= .00004
GAMMA=122.265 DGAMMA= .004
BETA =127.327 DBETA = .003
ALPHA= 52.850 DALPHA= .003
V=1433.9
7. 23-0950
Cu46Cl24{OH}68*{H2O}4
Triklin
Dexp Dcal d(D) h k l
5.5000 5.4957 .0043 0 1 1
5.4400 5.4334 .0066 0 -1 1
5.0400 5.0397 .0003 1 0 0
4.6900 4.6916 -.0016 -1 -1 1
4.5400 4.5410 -.0010 0 2 0
3.4200 3.4205 -.0005 0 0 2
3.2200 3.2136 .0064 0 1 2
3.0200 3.0189 .0011 -1 1 2
2.8950 2.8947 .0003 1 3 0
2.8420 2.8426 -.0006 -1 -3 1
2.7800 2.7806 -.0006 0 3 1
2.7590 2.7563 .0027 0 -3 1
A= 5.4508 DA= .0004
B= 9.333 DB= .005
C= 7.214 DC= .006
GAMMA= 76.70 DGAMMA= .04
BETA =108.51 DBETA = .01
ALPHA= 93.567 DALPHA= .007
V= 338.7
8. 23-0953
CuCl4{OH}2
Triklin
Dexp Dcal d(D) h k l
8.1900 8.1896 .0004 1 1 0
5.7900 5.7894 .0006 1 2 0
5.6300 5.6294 .0006 0 0 1
5.4300 5.4310 -.0010 1 0 1
4.0700 4.0719 -.0019 -2 1 0
3.3200 3.3190 .0010 -1 -3 1
3.2200 3.2222 -.0022 -2 -1 1
3.0400 3.0411 -.0011 3 0 0
2.6670 2.6663 .0007 0 -2 2
2.6150 2.6140 .0010 1 2 2
2.5340 2.5347 -.0007 -1 -1 2
2.1430 2.1424 .0006 -3 -4 1
A= 9.5533 DA= .0004
B= 13.13 DB= .01
C= 5.8169 DC= .0009
GAMMA= 80.35 DGAMMA= .04
BETA = 76.288 DBETA = .006
ALPHA= 92.52 DALPHA= .03
V=696.5
9. 23-1154
Pb-Bi-Cu-Ag-S
Triklin
Dexp Dcal d(D) h k l
4.5300 4.5329 -.0029 -1 0 1
4.1500 4.1525 -.0025 -1 -2 1
3.9200 3.9207 -.0007 -2 -1 1
3.6500 3.6522 -.0022 -2 1 1
3.4500 3.4496 .0004 -2 -3 1
3.2400 3.2400 .0000 -3 -1 1
3.0200 3.0191 .0009 -1 5 0
2.9000 2.8991 .0009 4 0 0
2.7500 2.7506 -.0006 -4 1 0
2.6700 2.6694 .0006 -4 -1 1
2.5400 2.5404 -.0004 3 -2 1
2.4600 2.4598 .0002 -4 -4 1
A= 12.0197 DA= .0001
B= 17.114 DB= .002
C= 4.712 DC= .003
GAMMA= 76.489 DGAMMA= .002
BETA = 97.49 DBETA = .02
ALPHA= 92.09 DALPHA= .02
V=934.0
10. 23-1155
Pb-Bi-Cu-Ag-S
Triklin
Dexp Dcal d(D) h k l
4.0500 4.0512 -.0012 1 2 0
3.6600 3.6617 -.0017 0 1 1
3.4000 3.4048 -.0048 0 -1 1
3.2100 3.2098 .0002 -1 -1 1
3.1000 3.1007 -.0007 1 3 0
3.0100 3.0142 -.0042 2 0 0
2.9100 2.9052 .0048 0 -2 1
2.7900 2.7907 -.0007 -1 -2 1
2.3300 2.3317 -.0017 2 3 0
2.2700 2.2677 .0023 -2 3 0
2.1300 2.1330 -.0030 0 5 0
2.0600 2.0599 .0001 0 -4 1
A= 6.127 DA= .001
B= 10.738 DB= .003
C= 3.822 DC= .002
GAMMA= 89.570 DGAMMA= .004
BETA =100.169 DBETA = .003
ALPHA= 83.51 DALPHA= .03
V= 245.8
11. 23-1988
C8H28CuN6O10*4H2O
Triklin
Dexp Dcal d(D) h k l
9.8100 9.8099 .0001 1 0 0
8.1800 8.1817 -.0017 1 1 0
6.7800 6.7779 .0021 0 0 1
5.1500 5.1515 -.0015 2 1 0
4.3900 4.3893 .0007 -1 1 1
3.4200 3.4224 -.0024 0 1 2
3.0700 3.0722 -.0022 2 0 2
2.9260 2.9261 -.0001 0 3 0
2.7200 2.7202 -.0002 4 2 1
2.5810 2.5781 .0029 2 -1 2
2.2890 2.2907 -.0017 1 -3 1
2.0820 2.0824 -.0004 5 1 0
A= 11.01633 DA= .00007
B= 9.91996 DB= .00004
C= 7.26746 DC= .00003
GAMMA= 65.0649 DGAMMA= .0003
BETA = 72.8801 DBETA = .0003
ALPHA= 71.7503 DALPHA= .0003
V=671.2