1. 44-0004
CuHPO4
Triklin
Dexp Dcal d(D) h k l
8.0400 8.0387 .0013 1 0 0
5.9900 5.9926 -.0026 1 1 0
5.1000 5.1035 -.0035 -1 0 1
4.6200 4.6198 .0002 2 1 1
4.1100 4.1100 -.0000 2 1 0
3.2400 3.2426 -.0026 1 2 0
3.0700 3.0736 -.0036 -1 1 2
3.0200 3.0182 .0018 0 2 0
2.8700 2.8689 .0011 3 1 0
2.8200 2.8159 .0041 2 2 3
2.7750 2.7749 .0001 1 2 3
2.6170 2.6155 .0015 0 0 3
A= 9.399 DA= .005
B= 7.398 DB= .003
C= 9.156 DC= .01
GAMMA= 61.03 DGAMMA= .02
BETA = 66.77 DBETA = .03
ALPHA= 61.25 DALPHA= .03
V= 477.3
2. 44-0387
Cu{H2PO2}2
Triklin
Dexp Dcal d(D) h k l
7.1380 7.1391 -.0011 1 0 1
4.0400 4.0392 .0008 1 1 1
3.3850 3.3851 -.0001 -1 -1 1
3.0910 3.0908 .0002 2 1 1
3.0030 3.0030 .0000 2 1 0
2.8140 2.8139 .0001 -1 1 3
2.1680 2.1681 -.0001 -4 1 0
1.9200 1.9200 -.0000 3 1 4
1.7740 1.7740 -.0000 -4 -1 1
1.6050 1.6050 .0000 2 0 6
1.4640 1.4640 .0000 6 -1 2
1.3720 1.3720 -.0000 -1 1 7
1.3440 1.3440 .0000 -4 -2 2
1.2210 1.2210 .0000 -3 1 7
A= 9.0596 DA= .0002
B= 5.0560 DB= .0001
C= 10.0098 DC= .0001
GAMMA= 99.080 DGAMMA= .003
BETA = 82.5057 DBETA = .0001
ALPHA= 79.038 DALPHA= .005
V=438.3
3. 44-0706
CuO
Triklin
Dexp Dcal d(D) h k l
3.6255 3.6248 .0007 0 1 1
3.4420 3.4403 .0017 0 -1 1
2.7752 2.7745 .0007 -1 0 1
2.7047 2.7043 .0004 -1 2 0
2.5444 2.5435 .0009 1 2 1
2.3380 2.3365 .0015 -2 1 0
2.1396 2.1415 -.0019 -1 2 1
2.0474 2.0471 .0003 0 1 2
1.9649 1.9642 .0007 -1 3 0
1.8722 1.8743 -.0021 -2 0 1
1.7814 1.7816 -.0002 3 0 1
1.7168 1.7171 -.0003 3 1 1
A= 5.348 DA= .001
B= 6.369 DB= .002
C= 4.555 DC= .002
GAMMA= 89.91 DGAMMA= .03
BETA = 68.869 DBETA = .006
ALPHA= 86.95 DALPHA= .03
V=144.5
4. 44-1118
Cu3Ga
Triklin
Dexp Dcal d(D) h k l
2.2520 2.2521 -.0001 1 1 0
2.2370 2.2370 .0000 -1 1 1
2.1160 2.1158 .0002 -1 -1 1
2.0120 2.0122 -.0002 1 -1 1
1.9900 1.9900 -.0000 -1 1 2
1.7310 1.7310 -.0000 -3 -1 1
1.6400 1.6385 .0015 -2 1 3
1.5420 1.5418 .0002 -3 0 4
1.4480 1.4487 -.0007 -5 0 3
1.3100 1.3105 -.0005 2 -1 3
1.2970 1.2962 .0008 -1 0 5
1.2240 1.2240 .0000 5 1 1
A= 8.043 DA= .001
B= 2.3617 DB= .0002
C= 6.5541 DC= .0009
GAMMA= 91.27 DGAMMA= .01
BETA =106.07 DBETA = .04
ALPHA= 84.70 DALPHA= .01
V= 119.1
5. 44-1146
C1.44H4.32N0.36*Cu0.11Ge0.89S2
Triklin
Dexp Dcal d(D) h k l
8.4300 8.4299 .0001 1 0 0
7.3000 7.2992 .0008 1 -1 0
6.5300 6.5301 -.0001 0 0 1
5.5200 5.5202 -.0002 1 2 0
5.1600 5.1583 .0017 -1 -1 1
4.6200 4.6211 -.0011 1 1 1
4.4000 4.3962 .0038 -1 -2 1
4.0500 4.0501 -.0001 2 1 0
3.6500 3.6498 .0002 -2 -1 1
3.1800 3.1802 -.0002 0 -4 1
3.0400 3.0401 -.0001 -1 -4 1
2.9200 2.9196 .0004 1 0 2
A= 8.50195 DA= .00002
B= 14.604 DB= .01
C= 6.5860 DC= .0005
GAMMA= 90.01 DGAMMA= .02
BETA = 97.47 DBETA = .01
ALPHA= 89.74 DALPHA= .04
V= 810.7
6. 44-1207
Al6CuLi3
Rombik
Groupa 32,55
Dexp. Dcal. d(D) h k l
6.5450 6.5207 .0243 0 2 0
4.2169 4.2054 .0115 2 1 0
3.6744 3.6715 .0029 2 2 0
2.3710 2.3689 .0021 0 0 1
2.2520 2.2545 -.0025 1 1 1
2.0268 2.0253 .0015 1 3 1
1.9156 1.9164 -.0008 0 4 1
1.7502 1.7523 -.0021 3 6 0
1.6448 1.6450 -.0002 5 3 0
1.4088 1.4088 .0000 3 6 1
1.3145 1.3142 .0003 4 8 0
a= 8.885 b=13.04 c= 2.3689
da= .005 db= .01 dc= .0001
V= 274.5
7. 44-1208
Al6CuLi3
Triklin
Dexp Dcal d(D) h k l
5.9387 5.9377 .0010 -1 0 1
4.6473 4.6467 .0006 -1 -2 1
4.2598 4.2590 .0008 1 -1 1
3.9123 3.9145 -.0022 1 1 1
3.6744 3.6729 .0015 -2 0 1
3.4733 3.4753 -.0020 0 -1 2
3.4316 3.4328 -.0012 2 1 0
3.1685 3.1651 .0034 1 -3 1
2.7789 2.7763 .0026 1 4 0
2.5244 2.5243 .0001 -1 4 1
2.3818 2.3834 -.0016 -1 -5 1
2.3375 2.3368 .0007 -3 -1 2
A= 7.5510 DA= .0001
B= 12.35537 DB= .00004
C= 7.338 DC= .001
GAMMA= 86.650 DGAMMA= .001
BETA =108.1301 DBETA = .0003
ALPHA=102.125 DALPHA= .002
V=636.0
8. 44-1209
Al6CuLi3
Triklin
Dexp Dcal d(D) h k l
5.8776 5.8766 .0010 -1 1 0
4.2197 4.2208 -.0011 1 3 0
3.6701 3.6712 -.0011 -1 -2 1
3.4733 3.4760 -.0027 2 2 0
3.4111 3.4117 -.0006 0 -3 1
3.1621 3.1613 .0008 2 -1 1
2.7618 2.7613 .0005 0 -2 2
2.3809 2.3811 -.0002 1 6 1
2.3375 2.3392 -.0017 0 -5 1
2.2569 2.2549 .0020 0 6 0
2.2101 2.2099 .0002 -2 0 2
2.1213 2.1211 .0002 -3 -1 1
A= 7.630 DA= .001
B= 14.335 DB= .003
C= 7.076 DC= .001
GAMMA= 74.95 DGAMMA= .03
BETA = 74.07 DBETA = .02
ALPHA= 74.46 DALPHA= .02
V=702.1
9. 44-1210
Al6CuLi3
Triklin
Dexp Dcal d(D) h k l
5.9275 5.9245 .0030 1 1 1
4.6473 4.6447 .0026 1 -1 1
4.2540 4.2602 -.0062 -1 1 1
3.9172 3.9151 .0021 2 0 2
3.6852 3.6937 -.0085 1 0 3
3.4752 3.4733 .0019 1 2 1
3.4241 3.4229 .0012 1 1 3
3.1781 3.1780 .0001 2 2 0
2.7765 2.7768 -.0003 -1 1 3
2.3854 2.3847 .0007 1 -2 3
2.3375 2.3366 .0009 4 1 2
2.2658 2.2660 -.0002 2 2 4
A= 9.543 DA= .002
B= 7.1695 DB= .0008
C= 11.319 DC= .002
GAMMA= 73.74 DGAMMA= .01
BETA = 76.84 DBETA = .02
ALPHA= 86.22 DALPHA= .02
V= 723.94
10. 44-1210
Al6CuLi3
Triklin
Dexp Dcal d(D) h k l
5.9275 5.9245 .0030 1 1 1
4.6473 4.6447 .0026 1 -1 1
4.2540 4.2602 -.0062 -1 1 1
3.9172 3.9151 .0021 2 0 2
3.6852 3.6937 -.0085 1 0 3
3.4752 3.4733 .0019 1 2 1
3.4241 3.4229 .0012 1 1 3
3.1781 3.1780 .0001 2 2 0
2.7765 2.7768 -.0003 -1 1 3
2.3854 2.3847 .0007 1 -2 3
2.3375 2.3366 .0009 4 1 2
2.2658 2.2660 -.0002 2 2 4
A= 9.543 DA= .002
B= 7.1695 DB= .0008
C= 11.319 DC= .002
GAMMA= 73.74 DGAMMA= .01
BETA = 76.84 DBETA = .02
ALPHA= 86.22 DALPHA= .02
V= 723.94
11. 44-1530
C14H12CuN4O3*2H2O
Triklin
Dexp Dcal d(D) h k l
10.0840 10.0418 .0422 1 0 0
3.8950 3.8952 -.0002 1 -1 2
3.4774 3.4781 -.0007 1 0 2
3.4103 3.4117 -.0014 0 0 2
3.2123 3.2129 -.0006 0 2 0
3.1412 3.1422 -.0010 -2 2 0
2.9429 2.9445 -.0016 3 -2 2
2.8785 2.8829 -.0044 -1 -2 1
2.7684 2.7684 .0000 -3 0 1
2.4284 2.4305 -.0021 0 -1 3
2.4027 2.4025 .0002 2 1 2
2.0658 2.0666 -.0008 -1 -3 1
A= 11.242 DA= .001
B= 7.489 DB= .008
C= 7.826 DC= .008
GAMMA=113.53 DGAMMA= .05
BETA = 68.71 DBETA = .03
ALPHA=116.50 DALPHA= .07
V= 526.7
12. 44-1546
C26H22CuN8O2
Triklin
Dexp Dcal d(D) h k l
18.8000 18.7213 .0787 1 0 0
15.2300 15.3257 -.0957 0 1 0
10.7700 10.7468 .0232 0 0 1
9.3000 9.3606 -.0606 2 0 0
9.1100 9.1035 .0065 -1 -1 1
8.2600 8.2373 .0227 0 1 1
7.9600 7.9485 .0115 1 -1 1
7.3000 7.3039 -.0039 -2 -1 1
7.0100 6.9811 .0289 1 2 0
6.1800 6.1700 .0100 2 -1 1
5.6760 5.6677 .0083 -3 -1 1
5.3680 5.3734 -.0054 0 0 2
A= 19.20 DA= .01
B= 15.502 DB= .003
C= 11.135 DC= .005
GAMMA= 90.74 DGAMMA= .02
BETA =102.54 DBETA = .02
ALPHA= 98.27 DALPHA= .06
V= 3198
13. 44-1567
C7H7Cl2CuN5*2H2O
Triklin
Dexp Dcal d(D) h k l
6.6629 6.6601 .0028 0 1 1
6.4972 6.4936 .0036 0 -1 1
6.1507 6.1531 -.0024 1 0 0
5.0619 5.0637 -.0018 1 1 1
4.0840 4.0852 -.0012 -1 -1 2
3.3252 3.3248 .0004 0 -1 4
3.2170 3.2162 .0008 1 2 2
2.7486 2.7491 -.0005 2 0 3
2.2196 2.2200 -.0004 0 3 3
2.0298 2.0298 .0000 3 0 2
1.7671 1.7672 -.0001 -2 -3 4
1.6333 1.6333 .0000 -3 -1 5
A= 6.2859 DA= .0003
B= 7.4207 DB= .0003
C= 15.28223 DC= .00006
GAMMA= 79.556 DGAMMA= .001
BETA = 84.0661 DBETA = .0003
ALPHA= 87.111 DALPHA= .001
V= 696.9
14. 44-1569
C24H26Cl2CuN6O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.7020 11.7029 -.0009 -1 0 1
7.0707 7.0745 -.0038 1 1 0
4.4227 4.4231 -.0004 3 0 0
3.6649 3.6644 .0005 -2 0 5
2.7559 2.7558 .0001 -2 2 5
2.7113 2.7115 -.0002 -1 3 1
2.2654 2.2656 -.0002 5 0 4
2.1484 2.1484 -.0000 -6 1 1
2.0777 2.0774 .0003 5 2 3
2.0359 2.0358 .0001 -6 0 5
2.0078 2.0078 -.0000 -1 2 9
a= 13.3387 b= 8.362 c= 20.653 beta= 95.836
da= .0008 db=.001 dc=.002 dbeta=.003
V= 2291.6
15. 44-1570
C24H24CuN6O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
11.7020 11.6482 .0538 1 0 1
7.0707 7.0796 -.0089 2 0 0
4.4227 4.4096 .0131 3 0 2
3.6649 3.6617 .0032 1 1 0
2.7559 2.7561 -.0002 0 1 4
2.7113 2.7111 .0002 -5 0 1
2.2654 2.2655 -.0001 5 1 2
2.1484 2.1483 .0001 -5 0 4
2.0777 2.0777 -.0000 6 0 5
2.0359 2.0360 -.0001 1 0 8
2.0078 2.0072 .0006 0 0 8
a= 14.369 b= 3.791 c= 16.29 beta= 80.20
da=.003 db= .004 dc=.02 dbeta=.02
V= 874.6
16. 44-1595
C6H12N4O4*{C2H3O2}2Cu
Triklin
Dexp Dcal d(D) h k l
7.6940 7.6888 .0052 -1 2 0
6.1935 6.2169 -.0234 1 2 0
5.9259 5.9222 .0037 -1 1 1
5.9060 5.9097 -.0037 0 -1 1
5.7909 5.7997 -.0088 1 0 1
5.4049 5.3967 .0082 -1 3 0
5.2584 5.2529 .0055 0 2 1
4.2908 4.2834 .0074 0 3 1
4.0953 4.0955 -.0002 -1 4 0
3.6627 3.6635 -.0008 -1 -3 1
3.5900 3.5913 -.0013 1 4 0
3.5339 3.5318 .0021 3 2 0
A= 13.692 DA= .004
B= 16.474 DB= .005
C= 6.58 DC= .01
GAMMA=103.92 DGAMMA= .01
BETA = 93.0 DBETA = .1
ALPHA= 85.237 DALPHA= .007
V=1439
17. 44-1748
C30H28CuN6O2
Triklin
Dexp Dcal d(D) h k l
13.5360 13.5331 .0029 1 0 0
10.1420 10.1432 -.0012 1 1 0
7.1666 7.1692 -.0026 -1 0 1
6.6965 6.6939 .0026 -1 1 1
6.3505 6.3525 -.0020 1 2 1
4.5118 4.5110 .0008 3 0 0
5.0306 5.0313 -.0007 0 1 2
4.7408 4.7425 -.0017 1 3 1
4.5561 4.5566 -.0005 3 1 1
4.4799 4.4782 .0017 3 -1 1
4.3046 4.3037 .0009 -1 1 2
4.0993 4.1015 -.0022 3 0 2
A= 14.279 DA= .001
B= 15.596 DB= .002
C= 10.9141 DC= .0005
GAMMA= 88.884 DGAMMA= .004
BETA = 71.4209 DBETA = .0004
ALPHA= 84.523 DALPHA= .005
V= 2292.9
18. 44-1847
C4H16CuN4O4S
Triklin
Dexp Dcal d(D) h k l
7.4206 7.4289 -.0083 1 0 0
6.0758 6.0722 .0036 1 1 1
5.0230 5.0279 -.0049 -1 0 1
4.7032 4.7024 .0008 1 0 2
4.0687 4.0711 -.0024 2 1 1
3.6928 3.6926 .0002 2 2 0
3.5245 3.5282 -.0037 -1 -2 2
3.2269 3.2270 -.0001 1 -1 3
3.0944 3.0968 -.0024 0 3 0
2.9500 2.9531 -.0031 1 1 3
2.7599 2.7576 .0023 -2 -2 2
2.6664 2.6674 -.0010 3 1 0
A= 8.342 DA= .002
B= 10.288 DB= .002
C= 10.015 DC= .002
GAMMA= 71.02 DGAMMA= .02
BETA = 75.52 DBETA = .02
ALPHA=100.97 DALPHA= .04
V= 751.5
19. 44-1848
C6H24CuN6O4S
Triklin
Dexp Dcal d(D) h k l
7.1751 7.1842 -.0091 0 1 1
6.0743 6.0771 -.0028 -1 1 1
4.8282 4.8281 .0001 0 -1 1
4.5181 4.5234 -.0053 0 2 1
4.0930 4.0940 -.0010 -1 2 0
3.8939 3.8960 -.0021 -1 1 2
3.6166 3.6213 -.0047 2 0 1
3.2889 3.2881 .0008 2 -1 1
3.0380 3.0385 -.0005 -2 2 2
2.8253 2.8247 .0006 3 0 0
2.6036 2.6041 -.0005 3 0 1
2.5072 2.5073 -.0001 3 -1 1
A= 8.6644 DA= .0007
B= 9.415 DB= .001
C= 8.267 DC= .001
GAMMA=101.68 DGAMMA= .01
BETA = 97.23 DBETA = .02
ALPHA= 66.74 DALPHA= .03
V=605.5
20. 44-1857
C16H14Cl2CuN2
Triklin
Dexp Dcal d(D) h k l
9.0000 9.0001 -.0001 1 0 0
7.7000 7.6996 .0004 -1 1 1
6.7000 6.6993 .0007 1 -1 1
5.9000 5.8997 .0003 1 0 2
5.5000 5.5004 -.0004 1 1 0
4.8000 4.7940 .0060 0 0 3
4.5000 4.5001 -.0001 2 0 0
4.1000 4.0997 .0003 -2 1 2
3.4500 3.4497 .0003 2 0 3
3.1600 3.1580 .0020 -3 1 1
2.6200 2.6206 -.0006 3 -3 1
2.4200 2.4201 -.0001 3 0 4
A= 9.746 DA= .002
B= 10.446 DB= .001
C= 14.9821 DC= .0008
GAMMA=111.92 DGAMMA= .03
BETA = 90.765 DBETA = .006
ALPHA= 74.66 DALPHA= .01
V= 1358.4
21. 44-1858
C32H28Cl2CuN4
Triklin
Dexp Dcal d(D) h k l
8.6000 8.5981 .0019 0 1 1
7.6000 7.5970 .0030 0 -1 1
6.7000 6.7001 -.0001 -1 -1 1
5.9000 5.8993 .0007 1 0 1
4.9000 4.8968 .0032 0 2 1
4.5000 4.4991 .0009 1 0 2
4.3000 4.2997 .0003 -1 0 3
3.9500 3.9425 .0075 0 -1 3
3.6000 3.5964 .0036 0 2 3
3.4000 3.4016 -.0016 0 0 4
3.1000 3.1002 -.0002 0 -1 4
2.6000 2.6003 -.0003 -2 -3 3
A= 7.8957 DA= .0001
B= 10.653 DB= .001
C= 13.9753 DC= .0002
GAMMA= 70.9815 DGAMMA= .0003
BETA =100.945 DBETA = .006
ALPHA= 86.683 DALPHA= .006
V= 1082.0
1. 45-0060
Ba2CuO4
Rombik
Groupa 34, 58
Dexp. Dcal. d(D) h k l
2.8940 2.8972 -.0032 1 1 0
2.8760 2.8752 .0008 1 0 1
2.3530 2.3545 -.0015 1 1 1
2.0510 2.0512 -.0002 0 2 0
2.0190 2.0204 -.0014 0 0 2
1.8310 1.8310 .0000 2 1 0
1.6700 1.6698 .0002 1 2 1
1.6580 1.6572 .0008 1 1 2
a= 4.0922 b= 4.10236 c= 4.04070
da= .0004 db= .00001 dc= .00009
V= 67.83
2. 45-0076
CsCu2I3
Rombik
Grupa 20
Dexp. Dcal. d(D) h k l
8.2400 8.2278 .0122 0 1 1
6.5900 6.5809 .0091 0 0 2
4.1200 4.1139 .0061 0 2 2
4.0500 4.0505 -.0005 0 1 3
3.4100 3.4105 -.0005 1 2 2
3.3700 3.3741 -.0041 1 1 3
3.2900 3.2905 -.0005 0 0 4
3.0500 3.0493 .0007 2 0 0
2.9700 2.9663 .0037 1 3 1
2.9000 2.8958 .0042 1 0 4
2.8600 2.8592 .0008 2 1 1
2.7400 2.7426 -.0026 0 3 3
a= 6.099 b=10.541 c=13.162
da= .003 db= .006 dc= .001
V= 846.1
3. 45-0242
Tl2Sr2Ca2La0.5Cu3O10.75
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
6.6410 6.6209 .0201 0 0 1
4.9190 4.9655 -.0465 1 1 0
2.8430 2.8402 .0028 0 2 1
2.5600 2.5622 -.0022 2 0 2
2.4800 2.4791 .0009 3 1 0
2.0920 2.0912 .0008 3 0 2
2.0470 2.0473 -.0003 3 2 0
a= 8.093 b= 6.2884 c= 6.62
da= .003 db= .0006 dc= .01
v= 336.9
4. 45-0243
Tl2Sr2Ca2LaCu3O11.5
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.1700 9.1683 .0017 0 1 1
8.6970 8.6944 .0026 1 1 0
4.3990 4.4001 -.0011 0 0 3
3.4580 3.4564 .0016 2 3 0
2.8600 2.8592 .0008 4 1 1
2.6580 2.6582 -.0002 -4 0 2
2.5610 2.5609 .0001 -2 4 2
2.4780 2.4784 -.0004 4 1 3
2.2060 2.2054 .0006 0 5 3
1.9720 1.9724 -.0004 -2 6 1
a= 11.909 b= 12.744 c= 13.219 beta= 86.94
da= .002 db=.004 dc=.004 dbeta=.02
V= 2003
5. 45-0244
Tl2Sr2Ca2La1.5Cu3O12.25
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.9430 4.9425 .0005 2 1 2
4.3230 4.3231 -.0001 3 0 0
4.0760 4.0774 -.0014 2 0 4
3.9330 3.9329 .0001 3 1 2
3.2880 3.2889 -.0009 -1 1 4
3.0590 3.0589 .0001 3 2 2
2.8600 2.8594 .0006 -2 1 4
2.6580 2.6574 .0006 1 2 5
2.6580 2.6565 .0015 1 3 2
2.4950 2.4950 .0000 0 3 3
2.2600 2.2601 -.0001 -2 0 6
2.0800 2.0801 -.0001 1 4 0
1.9450 1.9450 .0000 7 0 2
1.8760 1.8760 -.0000 5 1 8
1.7660 1.7660 .0000 7 2 2
1.7050 1.7050 .0000 2 3 8
a= 13.6753 b= 8.429 c= 17.160 beta= 71.502
da= .0004 db= .001 dc=.001 dbeta=.002
V= 1876
Triklin
Dexp Dcal d(D) h k l
4.9430 4.9466 -.0036 0 1 1
4.3230 4.3207 .0023 1 1 0
4.0760 4.0772 -.0012 0 -1 1
3.9330 3.9354 -.0024 1 0 1
3.2880 3.2887 -.0007 0 1 2
3.0590 3.0608 -.0018 1 -1 1
2.8600 2.8588 .0012 -2 -1 1
2.6580 2.6590 -.0010 1 2 0
2.4950 2.4960 -.0010 2 0 1
2.2600 2.2594 .0006 1 -1 2
2.0800 2.0799 .0001 -3 -1 1
1.9450 1.9448 .0002 1 0 3
1.8760 1.8761 -.0001 -2 0 4
1.7660 1.7671 -.0011 0 -3 1
1.7050 1.7050 .0000 -2 3 1
A= 6.7756 DA= .0003
B= 5.8804 DB= .0007
C= 7.773 DC= .001
GAMMA= 92.155 DGAMMA= .003
BETA =113.37 DBETA = .01
ALPHA= 78.86 DALPHA= .01
V= 278.7
6. 45-0410
Cu{NH3}2SO4
Triklin
Dexp Dcal d(D) h k l
5.4213 5.4231 -.0018 0 1 1
4.3688 4.3694 -.0006 1 0 1
3.9054 3.9037 .0017 0 -1 1
3.6194 3.6207 -.0013 1 1 0
3.3353 3.3341 .0012 0 1 2
3.1099 3.1074 .0025 0 2 0
2.7899 2.7919 -.0020 -2 2 0
2.6991 2.6977 .0014 2 0 1
2.5558 2.5549 .0009 0 -1 2
2.3837 2.3833 .0004 1 2 0
2.1061 2.1058 .0003 -3 2 0
1.8400 1.8402 -.0002 1 -1 3
1.8101 1.8103 -.0002 2 2 0
1.5835 1.5835 -.0000 -1 -3 1
A= 6.5921 DA= .0009
B= 7.2666 DB= .0005
C= 6.9006 DC= .0001
GAMMA=115.59 DGAMMA= .03
BETA = 98.85 DBETA = .03
ALPHA= 69.551 DALPHA= .005
V= 279.3
7. 45-0411
CuNH3SO4
Triklin
Dexp Dcal d(D) h k l
6.1069 6.0967 .0102 1 0 0
5.3468 5.3532 -.0064 0 1 1
4.8783 4.8786 -.0003 0 -1 1
4.7141 4.7179 -.0038 0 1 2
4.3934 4.3933 .0001 -1 -1 1
4.1788 4.1832 -.0044 1 1 3
3.3861 3.3856 .0005 -1 1 1
3.1392 3.1398 -.0006 -1 1 2
3.0281 3.0280 .0001 2 0 2
2.8071 2.8064 .0007 1 2 3
2.6639 2.6641 -.0002 -2 -1 2
2.5240 2.5237 .0003 -1 1 4
2.4334 2.4333 .0001 2 2 4
2.2078 2.2078 .0000 -1 2 0
A= 6.7427 DA= .0002
B= 5.9583 DB= .0009
C= 15.54 DC= .01
GAMMA= 67.040 DGAMMA= .005
BETA = 75.04 DBETA = .01
ALPHA= 76.797 DALPHA= .008
V= 549.6
8. 45-0469
{NH4}2Cu3{P2O7}2H2O
Triklin
Dexp Dcal d(D) h k l
9.3000 9.2992 .0008 1 0 0
6.1500 6.1462 .0038 0 1 0
5.5800 5.5777 .0023 0 0 1
5.2600 5.2492 .0108 1 1 0
5.0100 5.0139 -.0039 -1 1 0
4.6000 4.5912 .0088 0 1 1
3.8300 3.8355 -.0055 2 0 1
3.6200 3.6223 -.0023 -2 1 0
3.4300 3.4336 -.0036 -1 -1 1
2.8800 2.8798 .0002 3 0 1
2.8500 2.8515 -.0015 -2 -1 1
2.7900 2.7889 .0011 0 0 2
A= 9.414 DA= .002
B= 6.2812 DB= .0009
C= 5.7459 DC= .0009
GAMMA= 85.541 DGAMMA= .007
BETA = 81.52 DBETA = .01
ALPHA= 78.45 DALPHA= .01
V=329.0
9. 45-0838
K4CuO3
Triklin
Dexp Dcal d(D) h k l
7.2300 7.2403 -.0103 1 0 0
4.4800 4.4827 -.0027 1 2 0
4.3000 4.3023 -.0023 -1 0 1
4.0900 4.1146 -.0246 1 -2 1
3.9500 3.9557 -.0057 -1 2 0
3.6300 3.6202 .0098 2 0 0
3.3300 3.3344 -.0044 0 2 1
3.0300 3.0277 .0023 1 -2 2
2.9640 2.9648 -.0008 1 0 2
2.8980 2.9016 -.0036 -2 0 1
2.7970 2.7928 .0042 -2 2 0
2.6330 2.6314 .0016 1 1 2
A= 7.361 DA= .009
B= 11.181 DB= .004
C= 6.592 DC= .002
GAMMA= 85.689 DGAMMA= .001
BETA = 82.87 DBETA = .03
ALPHA=111.79 DALPHA= .01
V=595.2
10. 45-1140
Cu2HgI4
Triklin
Dexp Dcal d(D) h k l
5.4800 5.4816 -.0016 1 0 1
3.5282 3.5288 -.0006 -2 1 1
3.4035 3.4062 -.0027 2 -1 1
3.2452 3.2450 .0002 0 1 2
3.1728 3.1749 -.0021 1 0 2
3.1099 3.1098 .0001 1 -2 1
3.0659 3.0674 -.0015 1 1 2
3.0475 3.0478 -.0003 -1 1 2
2.8030 2.8041 -.0011 3 0 1
2.6588 2.6589 -.0001 0 3 0
2.1581 2.1580 .0001 1 3 2
2.0777 2.0777 .0000 0 -1 3
A= 9.14 DA= .01
B= 8.06 DB= .01
C= 6.756 DC= .005
GAMMA= 92.69 DGAMMA= .03
BETA = 88.56 DBETA = .09
ALPHA= 82.39 DALPHA= .07
V= 492.7
11. 45-1141
Cu2HgI4
Tetragon
Groupa 100,117,127
Dexp. Dcal. d(D) h k l
5.4399 5.4463 -.0064 2 0 0
3.5036 3.5045 -.0009 0 0 1
2.6420 2.6418 .0002 4 1 0
2.1532 2.1503 .0029 4 0 1
2.1493 2.1503 -.0010 4 0 1
2.0696 2.0711 -.0015 3 3 1
a= 10.893 c= 3.505
da= .003 dc= .003
V= 415.8
12. 45-1142
Cu2HgI4
Rombik
Groupa 54
Dexp. Dcal. d(D) h k l
5.5003 5.5102 -.0099 1 0 2
3.5227 3.5219 .0008 2 1 0
3.3907 3.3968 -.0061 2 1 1
2.7708 2.7687 .0021 3 1 1
2.6526 2.6508 .0018 0 1 4
2.1552 2.1550 .0002 1 2 2
2.1445 2.1447 -.0002 2 2 0
2.0768 2.0773 -.0005 2 1 5
a=10.69 b= 4.6831 c=12.862
da= .01 db= .0006 dc= .003
V= 643.7
13. 45-1143
Cu2HgI4
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
5.5003 5.5114 -.0111 1 1 0
3.5309 3.5293 .0016 1 2 0
3.3984 3.3979 .0005 2 0 1
2.6649 2.6647 .0002 2 0 2
2.1611 2.1598 .0013 0 3 2
2.1450 2.1449 .0001 3 2 0
2.0777 2.0783 -.0006 1 3 2
a= 7.6394 b= 7.9588 c= 7.4385
da= .0002 db= .0006 dc= .0008
V= 452.3
14. 45-1144
Cu2HgI4
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
5.4433 5.4304 .0129 0 0 1
3.4700 3.4667 .0033 2 1 0
3.3756 3.3736 .0020 0 1 1
2.6450 2.6449 .0001 1 0 2
2.2275 2.2280 -.0005 3 0 2
2.1522 2.1525 -.0003 0 2 0
2.1480 2.1480 .0000 5 0 1
a=11.694 b= 4.305 c= 5.430
da= .002 db= .004 dc= .006
V= 273.4
15. 45-1319
Al65Cu20Ru15
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
3.7910 3.7901 .0009 2 0 1
3.4580 3.4602 -.0022 1 1 1
3.3090 3.3094 -.0004 1 0 2
2.1430 2.1426 .0004 1 2 0
2.0290 2.0309 -.0019 3 1 2
1.4710 1.4712 -.0002 0 3 0
1.4380 1.4377 .0003 4 2 2
1.2570 1.2569 .0001 3 2 4
a= 8.95 b= 4.4135 c= 7.12
da= .01 db= .0005 dc= .01
V= 281.5
16. 45-1730
C14H12CuN2O4
Triklin
Dexp Dcal d(D) h k l
12.8700 13.1388 -.2688 0 1 0
6.8000 6.8101 -.0101 -1 1 0
4.2900 4.2930 -.0030 -1 1 1
4.0000 3.9998 .0002 -1 -1 1
3.6900 3.6941 -.0041 0 -2 1
3.4500 3.4501 -.0001 -1 -2 1
3.3000 3.3008 -.0008 -2 1 1
2.7500 2.7503 -.0003 1 4 0
2.4000 2.4000 .0000 -2 -3 1
2.3000 2.2997 .0003 1 5 0
2.2500 2.2497 .0003 -3 -1 1
2.2100 2.2102 -.0002 3 1 0
2.1500 2.1498 .0002 -3 4 1
1.8300 1.8299 .0001 1 -3 2
A= 7.4992 DA= .0001
B= 13.479 DB= .002
C= 4.6270 DC= .0006
GAMMA=102.86 DGAMMA= .02
BETA =107.487 DBETA = .007
ALPHA= 87.143 DALPHA= .008
V= 434.8
17. 45-1773
C12H8CuN2O4
Triklin
Dexp Dcal d(D) h k l
8.1847 8.1837 .0010 -1 0 1
6.2756 6.2945 -.0189 0 1 1
5.6754 5.6798 -.0044 0 -1 1
4.8437 4.8454 -.0017 0 0 2
4.6668 4.6617 .0051 1 -1 1
4.5253 4.5276 -.0023 2 1 0
4.2266 4.2275 -.0009 -1 1 2
4.0918 4.0919 -.0001 -2 0 2
3.8969 3.8978 -.0009 0 -1 2
3.7823 3.7829 -.0006 0 2 0
3.3236 3.3212 .0024 3 1 0
3.2406 3.2380 .0026 2 0 2
A= 11.0085 DA= .0007
B= 7.618 DB= .003
C= 10.002 DC= .003
GAMMA= 87.08 DGAMMA= .02
BETA =103.01 DBETA = .01
ALPHA= 84.77 DALPHA= .02
V= 811.7
18. 45-1774
C12H8CuN2O4*4H2O
Triklin
Dexp Dcal d(D) h k l
8.6647 8.6551 .0096 0 1 1
6.3655 6.3692 -.0037 0 -1 1
5.7118 5.7093 .0025 1 1 0
5.3040 5.3090 -.0050 -1 1 0
4.7662 4.7716 -.0054 0 2 0
4.5482 4.5453 .0029 1 1 2
4.3286 4.3276 .0010 0 2 2
4.1106 4.1062 .0044 -1 1 2
3.8469 3.8450 .0019 1 2 2
3.6012 3.6012 .0000 -1 -1 2
3.4633 3.4638 -.0005 -1 2 2
3.3358 3.3354 .0004 0 3 1
A= 6.771 DA= .002
B= 10.057 DB= .002
C= 11.752 DC= .002
GAMMA= 84.32 DGAMMA= .02
BETA = 85.15 DBETA = .01
ALPHA= 72.131 DALPHA= .009
V= 756.7
19. 45-1778
C18H18Cl2CuN6O4*2HCl
Triklin
Dexp Dcal d(D) h k l
10.6500 10.6427 .0073 1 0 0
9.0300 9.0285 .0015 -1 1 0
8.5900 8.5997 -.0097 -1 0 1
7.5000 7.4911 .0089 1 1 0
6.8100 6.8171 -.0071 1 0 1
5.3700 5.3672 .0028 -1 -1 2
4.9010 4.9023 -.0013 -2 1 1
4.6470 4.6493 -.0023 -1 -2 2
4.2300 4.2301 -.0001 2 -2 1
3.9860 3.9848 .0012 -1 -3 1
3.4140 3.4147 -.0007 -3 -1 1
3.1870 3.1867 .0003 3 -2 1
2.9770 2.9771 -.0001 -1 3 2
2.2330 2.2330 .0000 3 -4 3
1.7940 1.7940 -.0000 5 -5 1
A= 11.0117 DA= .0006
B= 13.566 DB= .005
C= 11.574 DC= .008
GAMMA= 96.94 DGAMMA= .01
BETA =100.2980 DBETA = .0001
ALPHA=107.85 DALPHA= .03
V= 1590.65
20. 45-1796
C32H12CuN12O8
Triklin
Dexp Dcal d(D) h k l
14.4900 14.5257 -.0357 1 0 0
12.8000 12.8085 -.0085 0 1 0
10.5900 10.5914 -.0014 0 0 1
10.2800 10.2889 -.0089 1 1 0
9.9400 9.9562 -.0162 1 1 1
6.6600 6.6591 .0009 2 0 1
5.9100 5.9174 -.0074 1 1 2
5.3400 5.3394 .0006 1 0 2
5.1600 5.1577 .0023 0 2 2
5.0100 5.0059 .0041 3 1 1
4.7200 4.7219 -.0019 1 3 1
4.6200 4.6158 .0042 0 3 1
A= 15.244 DA= .009
B= 14.229 DB= .007
C= 11.919 DC= .005
GAMMA= 76.78 DGAMMA= .04
BETA = 73.94 DBETA = .03
ALPHA= 65.21 DALPHA= .03
V= 2236.38
21. 45-1797
C32H12CuN12O8
Geksagon
Groupa 186,190,194
Dexp. Dcal. d(D) h k l
13.6000 13.3339 .2661 0 0 1
6.6600 6.6670 -.0070 0 0 2
5.9100 5.9169 -.0069 1 0 2
2.6300 2.6299 .0001 3 0 4
3.4400 3.4405 -.0005 3 1 1
3.2400 3.2395 .0005 2 2 2
a= 14.83 c= 13.33
da= .01 dc=.04
V=2538