1. 42-0010
TiHCu0.5{PO4}2
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
9.4000 9.4359 -.0359 1 0 0
5.2800 5.2728 .0072 1 0 1
4.4700 4.4602 .0098 1 1 0
3.9700 3.9598 .0102 0 1 1
3.6500 3.6513 -.0013 1 1 1
3.4600 3.4511 .0089 2 1 0
3.1800 3.1790 .0010 0 0 2
3.0300 3.0331 -.0031 2 1 1
2.5300 2.5306 -.0006 0 2 0
2.4600 2.4629 -.0029 3 1 1
2.3600 2.3590 .0010 4 0 0
a= 9.436 b= 5.06 c= 6.3581
da= .007 db= .01 dc= .0005
V= 303.6
2. 42-0011
Ba2Cu3YO6.5
Triklin
Dexp Dcal d(D) h k l
5.7860 5.7867 -.0007 1 0 0
3.8935 3.8934 .0001 -1 1 1
3.8224 3.8216 .0008 -1 -1 1
3.2006 3.1973 .0033 1 2 0
2.7394 2.7401 -.0007 -1 2 0
2.7120 2.7117 .0003 -2 0 1
2.4628 2.4619 .0009 -2 1 1
2.3539 2.3536 .0003 1 3 1
2.3357 2.3361 -.0004 -2 0 2
2.2322 2.2316 .0006 -1 -2 2
2.0255 2.0251 .0004 2 2 3
1.9980 1.9976 .0004 0 2 4
A= 5.89011 DA= .00005
B= 7.24165 DB= .00002
C= 8.41980 DC= .00001
GAMMA= 79.2844 DGAMMA= .0004
BETA = 86.2208 DBETA = .0003
ALPHA= 73.4392 DALPHA= .0002
V=338.3
3. 42-0442
Ba2.96Cu2.3Y2.08PtO8.56
Triklin
Dexp Dcal d(D) h k l
3.5620 3.5618 .0002 -1 1 1
3.2550 3.2536 .0014 -2 -1 1
3.1210 3.1181 .0029 1 0 2
2.9030 2.9002 .0028 -1 2 0
2.7630 2.7606 .0024 1 2 0
2.3680 2.3662 .0018 -2 -2 2
2.2430 2.2428 .0002 -3 1 1
2.1610 2.1618 -.0008 1 -3 1
2.1130 2.1132 -.0002 2 -1 3
1.8730 1.8740 -.0010 -1 -1 4
1.8310 1.8307 .0003 1 1 3
1.7460 1.7463 -.0003 0 0 4
A= 7.848 DA= .002
B= 6.719 DB= .001
C= 7.731 DC= .001
GAMMA= 92.951 DGAMMA= .009
BETA = 91.980 DBETA = .003
ALPHA=115.1383 DALPHA= .0006
V=368.2
4. 42-0858
Al65Cu20Ru15
Rombik
Groupa 54
Dexp. Dcal. d(D) h k l
3.7737 3.7701 .0036 0 1 0
3.2879 3.2900 -.0021 1 0 2
2.1379 2.1373 .0006 2 0 2
2.0275 2.0286 -.0011 1 0 4
1.4701 1.4702 -.0001 2 2 1
1.4404 1.4400 .0004 0 2 4
1.2566 1.2567 -.0001 0 3 0
a= 4.8692 b= 3.7701 c= 8.926
da= .0002 db= .0003 dc= .007
V= 163.8
5. 42-0858
Al65Cu20Ru15
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
3.8034 3.8011 .0023 0 1 1
3.2965 3.2950 .0015 1 0 1
2.1379 2.1385 -.0006 1 3 0
2.0354 2.0370 -.0016 1 0 2
1.4735 1.4736 -.0001 3 2 0
1.4388 1.4387 .0001 2 4 0
1.2539 1.2538 .0001 2 1 3
a= 4.853 b= 7.1468 c= 4.488
da= .005 db= .0008 dc= .002
V= 155.7
6. 42-0859
AQl65Cu20Os15
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
2.4551 2.4557 -.0006 3 0 0
2.2881 2.2876 .0005 0 0 2
2.8433 2.8490 -.0057 1 2 0
1.7975 1.7977 -.0002 2 3 0
1.5299 1.5306 -.0007 0 3 2
1.5122 1.5118 .0004 1 4 0
1.4139 1.4135 .0004 2 3 2
a= 7.367 b= 6.1790 c= 4.575
da= .001 db= .0001 dc= .001
V= 208.3
7. 42-1047
Al4Cu5Gd
Triklin
Dexp Dcal d(D) h k l
3.5900 3.5893 .0007 -1 1 1
2.9600 2.9593 .0007 -1 -1 1
2.6200 2.6197 .0003 -2 0 1
2.2700 2.2700 -.0000 -2 -1 1
2.1900 2.1882 .0018 -2 2 1
2.1100 2.1103 -.0003 2 2 0
1.9540 1.9524 .0016 1 -1 2
1.8990 1.8998 -.0008 -2 0 2
1.8520 1.8533 -.0013 2 0 2
1.7430 1.7428 .0002 0 -3 1
1.7120 1.7134 -.0014 2 -1 2
1.6430 1.6432 -.0002 1 3 2
A= 6.2117 DA= .0001
B= 6.290 DB= .002
C= 4.83273 DC= .00006
GAMMA= 94.15 DGAMMA= .02
BETA = 92.34 DBETA = .01
ALPHA= 77.486 DALPHA= .008
V= 183.8
8. 42-1069
Al5CuTi2
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
6.2200 6.2426 -.0226 1 0 0
3.8400 3.8309 .0091 1 0 1
2.7600 2.7597 .0003 0 2 0
2.2600 2.2612 -.0012 1 0 2
1.9500 1.9471 .0029 3 1 0
1.7500 1.7490 .0010 1 2 2
1.5700 1.5719 -.0019 3 2 1
1.3900 1.3897 .0003 2 1 3
1.1900 1.1901 -.0001 4 3 0
1.1300 1.1306 -.0006 2 0 4
.9800 .9797 .0003 3 2 4
a= 6.243 b= 5.519 c= 4.8518
da= .004 db= .003 dc= .0006
V= 167.2
9. 42-1075
Al50Mg48Cu2
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
3.8970 3.9050 -.0080 0 2 0
2.4900 2.4848 .0052 1 2 0
2.3600 2.3607 -.0007 1 0 1
2.0830 2.0824 .0006 0 3 1
2.0300 2.0247 .0053 1 3 0
1.4610 1.4608 .0002 2 0 1
a= 3.221 b= 7.81 c= 3.470
da= .001 db= .01 dc= .001
V= 87.3
10. 42-1253
CuTe3
Triklin
Dexp Dcal d(D) h k l
6.9970 6.9476 .0494 2 0 0
3.8650 3.8622 .0028 1 2 0
3.5290 3.5292 -.0002 2 2 0
3.4760 3.4738 .0022 4 0 0
3.4040 3.4052 -.0012 3 0 1
3.3430 3.3437 -.0007 -2 2 0
3.2370 3.2401 -.0031 0 2 1
3.1070 3.1086 -.0016 -4 1 0
2.9910 2.9913 -.0003 3 -1 1
2.6740 2.6746 -.0006 5 1 0
2.6510 2.6504 .0006 2 -2 1
2.4790 2.4786 .0004 -3 -2 1
A= 13.93846 DA= .00001
B= 7.96757 DB= .00002
C= 4.84861 DC= .00006
GAMMA= 86.116 DGAMMA= .001
BETA = 87.285 DBETA = .002
ALPHA= 83.245 DALPHA= .001
V=533.2
11. 42-1433
As4.43Cu5.42Hg2.51S12.5Zn0.14
Triklin
Dexp Dcal d(D) h k l
5.1700 5.1745 -.0045 -1 1 1
4.6800 4.6792 .0008 -1 -1 1
4.3400 4.3406 -.0006 -2 0 1
3.9100 3.9125 -.0025 -2 1 1
3.6400 3.6419 -.0019 1 2 0
3.1300 3.1302 -.0002 -3 0 1
3.0100 3.0133 -.0033 -2 2 1
2.8120 2.8147 -.0027 -2 -2 1
2.7530 2.7529 .0001 2 0 2
2.6720 2.6717 .0003 1 2 2
2.5260 2.5267 -.0007 1 3 0
2.4290 2.4304 -.0014 -1 1 3
A= 9.821 DA= .001
B= 7.8999 DB= .0002
C= 7.4738 DC= .0003
GAMMA= 90.70 DGAMMA= .01
BETA = 97.99 DBETA = .02
ALPHA= 82.865 DALPHA= .003
V=569.9
12. 42-1505
C26H22CuN2O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.2100 12.3296 -.1196 1 0 1
11.3700 11.4133 -.0433 1 1 0
6.5800 6.5843 -.0043 1 2 1
6.1800 6.1648 .0152 2 0 2
5.5600 5.5594 .0006 3 1 1
5.2600 5.2622 -.0022 3 1 0
4.9000 4.9132 -.0132 3 1 2
4.7700 4.7726 -.0026 -2 2 1
4.3600 4.3560 .0040 -3 1 1
4.2500 4.2484 .0016 4 0 2
4.1000 4.0987 .0013 4 1 2
3.8900 3.8862 .0038 4 2 1
a= 17.942 b= 15.576 c= 13.356 beta= 69.19
da= .004 db= .004 dc=.02 dbeta=.09
V= 3489
Triklin
Dexp Dcal d(D) h k l
12.2100 12.2764 -.0664 1 0 0
11.3700 11.3880 -.0180 0 1 0
6.5800 6.5729 .0071 1 1 1
6.1800 6.1752 .0048 -1 -1 1
5.5600 5.5604 -.0004 1 -1 1
5.2600 5.2613 -.0013 2 1 1
4.9000 4.8982 .0018 1 2 1
4.7700 4.7690 .0010 -1 -2 1
4.3600 4.3665 -.0065 3 1 0
4.2500 4.2521 -.0021 2 -1 1
4.1000 4.0921 .0079 3 0 0
3.8900 3.8931 -.0031 2 3 0
A= 13.16042 DA= .00008
B= 12.1538 DB= .0004
C= 8.1145 DC= .0001
GAMMA= 69.582 DGAMMA= .002
BETA = 84.524 DBETA = .002
ALPHA= 89.066 DALPHA= .001
V=1210.5
13. 42-1513
C40H24CuN8
Triklin
Dexp Dcal d(D) h k l
10.2700 10.2754 -.0054 1 0 0
9.4000 9.4122 -.0122 1 1 0
7.1300 7.1182 .0118 -1 -1 1
5.9000 5.8951 .0049 1 1 1
5.5400 5.5371 .0029 1 2 0
5.2100 5.2101 -.0001 0 -2 1
4.3900 4.3907 -.0007 0 0 2
4.1600 4.1605 -.0005 1 -1 2
3.8700 3.8705 -.0005 -1 -3 1
3.4800 3.4805 -.0005 3 1 1
3.3300 3.3301 -.0001 -2 1 1
3.0700 3.0701 -.0001 1 3 1
2.7000 2.6999 .0001 3 -1 2
A= 11.2824 DA= .0004
B= 11.6934 DB= .0001
C= 9.3263 DC= .0002
GAMMA= 66.8633 DGAMMA= .0001
BETA = 90.085 DBETA = .001
ALPHA=108.0815 DALPHA= .0007
V=1065.0
14. 42-1641
C4H6BrCuN2O2{OH}2*2H2O
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
3.9242 3.9293 -.0051 0 1 2
3.8173 3.8257 -.0084 2 1 0
3.5726 3.5678 .0048 2 1 1
3.2155 3.2391 -.0236 0 2 0
2.4649 2.4627 .0022 3 1 2
2.3476 2.3521 -.0045 2 2 2
2.3046 2.3050 -.0004 4 0 1
1.9401 1.9370 .0031 1 3 2
1.4781 1.4781 -.0000 4 1 5
1.4104 1.4103 .0001 5 3 1
1.2125 1.2125 -.0000 6 1 5
a= 9.481 b= 6.48 c= 9.884
da= .009 db= .02 dc= .004
V= 607
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.9242 3.9270 -.0028 -3 0 1
3.8173 3.8188 -.0015 -2 1 1
3.5726 3.5721 .0005 -2 0 2
3.2155 3.2152 .0003 -3 1 1
2.4649 2.4675 -.0026 -2 2 1
2.3476 2.3480 -.0004 5 1 1
2.3046 2.3042 .0004 -1 2 2
1.9401 1.9392 .0009 5 2 0
1.4781 1.4781 .0000 -6 2 3
1.4104 1.4104 .0000 -6 3 1
1.2125 1.2125 -.0000 2 0 7
a= 13.45 b= 5.600 c= 8.588 beta= 88.4
da= .07 db= .006 dc=.008 dbeta=.2
V= 646
Triklin
Dexp Dcal d(D) h k l
3.9242 3.9237 .0005 -1 1 0
3.8173 3.8171 .0002 -1 0 1
3.5726 3.5725 .0001 -1 1 1
3.2155 3.2149 .0006 0 -1 2
2.4649 2.4649 .0000 -1 2 0
2.3476 2.3476 -.0000 -1 1 3
2.3046 2.3046 .0000 -1 -1 2
1.9401 1.9402 -.0001 1 -1 4
1.4781 1.4781 .0000 0 0 6
1.4104 1.4104 -.0000 0 -2 5
1.2125 1.2125 .0000 -1 4 2
A= 4.56439 DA= .00003
B= 5.04704 DB= .00004
C= 8.871 DC= .001
GAMMA=110.3205 DGAMMA= .0002
BETA = 88.7658 DBETA = .0001
ALPHA= 89.732 DALPHA= .006
V= 191.59
1. 43-0014
BaCuP2O7
Triklin
Dexp Dcal d(D) h k l
7.4000 7.3939 .0061 -1 0 1
5.8000 5.7937 .0063 0 2 0
4.6100 4.6093 .0007 0 -2 2
4.4100 4.4082 .0018 1 -2 1
4.3500 4.3446 .0054 -1 -2 2
4.1300 4.1346 -.0046 -2 0 1
4.0000 4.0005 -.0005 2 1 0
3.8500 3.8474 .0026 -2 1 0
3.6800 3.6796 .0004 -1 -3 1
3.6200 3.6197 .0003 0 -2 3
3.6200 3.6197 .0003 0 -2 3
3.5500 3.5533 -.0033 0 -3 2
A= 8.465 DA= .002
B= 11.825 DB= .006
C= 12.43 DC= .02
GAMMA= 84.82 DGAMMA= .01
BETA = 99.41 DBETA = .06
ALPHA=100.96 DALPHA= .05
V=1202.2
2. 43-1824
C4H12CuN2O2
Triklin
Dexp Dcal d(D) h k l
8.7230 8.7305 -.0075 1 0 0
4.5890 4.5866 .0024 0 1 1
3.5786 3.5774 .0012 0 -1 1
2.8956 2.8958 -.0002 2 2 1
2.8173 2.8200 -.0027 3 1 0
2.7532 2.7537 -.0005 2 2 0
2.6217 2.6227 -.0010 2 1 2
2.3382 2.3354 .0028 -3 0 1
2.2012 2.2016 -.0004 -3 -1 1
2.1829 2.1830 -.0001 1 3 1
2.1580 2.1571 .0009 3 2 2
1.9073 1.9084 -.0011 4 -1 1
A= 9.187 DA= .004
B= 6.5853 DB= .0007
C= 5.576 DC= .001
GAMMA= 76.67 DGAMMA= .01
BETA = 74.48 DBETA = .01
ALPHA= 72.93 DALPHA= .01
V= 306.5
3. 43-1825
C4H12CuN2O2
Triklin
Dexp Dcal d(D) h k l
4.3320 4.3320 -.0000 0 -1 1
4.1830 4.1844 -.0014 1 1 1
3.9690 3.9694 -.0004 -1 -1 1
3.4530 3.4532 -.0002 2 2 0
3.0851 3.0853 -.0002 0 -2 1
3.0440 3.0416 .0024 -1 1 1
2.6984 2.6972 .0012 1 3 0
2.4257 2.4248 .0009 -1 -3 1
2.3921 2.3913 .0008 3 0 0
2.0923 2.0922 .0001 2 2 2
2.0579 2.0584 -.0005 2 -2 1
2.0359 2.0360 -.0001 2 4 0
A= 8.105 DA= .001
B= 8.162 DB= .001
C= 5.0999 DC= .0003
GAMMA= 63.486 DGAMMA= .009
BETA = 83.16 DBETA = .02
ALPHA= 91.57 DALPHA= .02
V= 298.5
4. 43-1909
C32H28Cu2LaN7O13
Triklin
Dexp Dcal d(D) h k l
5.2300 5.2332 -.0032 1 1 0
5.1500 5.1371 .0129 0 1 1
5.0500 5.0424 .0076 -1 1 1
4.3300 4.3193 .0107 1 0 2
4.2000 4.2016 -.0016 -3 0 1
3.9200 3.9194 .0006 -3 0 2
3.9100 3.9068 .0032 3 0 0
3.1200 3.1198 .0002 1 0 3
2.9300 2.9301 -.0001 4 0 0
2.7500 2.7527 -.0027 1 1 3
2.7200 2.7195 .0005 3 0 2
2.5700 2.5686 .0014 0 2 2
2.3400 2.3411 -.0011 3 2 0
a= 12.60 b= 5.849 c= 11.56 beta= 111.6
da= .02 db=.001 dc=.01 dbeta=.1
V= 792.2
5. 43-1910
C32H28Cu2N7O13Pr
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
5.2300 5.2249 .0051 0 1 1
5.0800 5.0970 -.0170 1 0 1
5.0700 5.0590 .0110 -1 1 1
4.2000 4.1981 .0019 1 1 1
3.9500 3.9508 -.0008 -2 1 1
3.8600 3.8593 .0007 -1 0 2
3.1200 3.1239 -.0039 1 0 2
2.9100 2.9099 .0001 2 2 0
2.8900 2.8900 -.0000 3 1 0
2.6700 2.6702 -.0002 -3 1 2
2.5800 2.5801 -.0001 -1 0 3
2.3100 2.3099 .0001 -3 0 3
a= 9.8946 b= 7.403 c= 7.749 beta= 107.86
da= .0007 db= .004 dc=.001 dbet=.01
V=540.3
6. 43-1911
C32H28Cu2N7NdO13
Triklin
Dexp Dcal d(D) h k l
6.4300 6.4347 -.0047 0 1 1
5.3600 5.3618 -.0018 0 -1 1
4.9600 4.9614 -.0014 2 0 0
4.6600 4.6600 -.0000 1 2 0
4.2300 4.2290 .0010 2 2 1
4.2100 4.2290 -.0190 2 2 1
3.9500 3.9400 .0100 1 0 2
3.6500 3.6498 .0002 -2 0 1
3.4800 3.4758 .0042 -1 -2 1
3.3700 3.3693 .0007 1 -2 1
3.1900 3.1909 -.0009 2 3 1
2.8300 2.8383 -.0083 3 3 1
A= 11.0661 DA= .0001
B= 9.9585 DB= .0003
C= 8.2432 DC= .0001
GAMMA= 70.652 DGAMMA= .004
BETA = 67.922 DBETA = .005
ALPHA= 73.404 DALPHA= .005
V=780.4
7. 43-1912
C32H28Cu2N7O13Sm
Triklin
Dexp Dcal d(D) h k l
8.8200 8.8150 .0050 1 0 0
6.6700 6.6792 -.0092 -1 1 1
6.4300 6.4319 -.0019 1 -1 1
4.9800 4.9791 .0009 0 -1 2
4.8700 4.8731 -.0031 1 1 1
4.1500 4.1522 -.0022 1 1 2
3.8600 3.8628 -.0028 -1 1 3
3.5900 3.5904 -.0004 0 2 2
3.3400 3.3396 .0004 -2 2 2
3.1000 3.0982 .0018 0 2 3
3.0600 3.0597 .0003 -1 0 4
2.8000 2.8014 -.0014 2 -2 3
A= 9.481 DA= .002
B= 8.8621 DB= .0008
C= 13.164 DC= .008
GAMMA=111.587 DGAMMA= .009
BETA = 90.36 DBETA = .02
ALPHA= 86.46 DALPHA= .01
V= 1026.38
8. 43-1913
C32H28Cu2EuN7O13
Triklin
Dexp Dcal d(D) h k l
5.1100 5.1106 -.0006 1 0 1
4.4400 4.4380 .0020 0 1 1
4.2900 4.2843 .0057 0 -1 1
4.1300 4.1244 .0056 -1 0 1
3.9400 3.9468 -.0068 1 1 1
3.7700 3.7673 .0027 -1 1 0
2.9900 2.9894 .0006 0 -1 2
2.9100 2.9101 -.0001 2 0 1
2.8900 2.8860 .0040 2 0 0
2.8300 2.8330 -.0030 -1 0 2
2.6900 2.6953 -.0053 2 1 1
2.5700 2.5715 -.0015 0 2 1
A= 5.94939 DA= .00002
B= 5.45164 DB= .00004
C= 7.54148 DC= .00003
GAMMA= 83.7027 DGAMMA= .0002
BETA = 77.1647 DBETA = .0005
ALPHA= 86.5583 DALPHA= .0003
V=237.0
9. 43-1914
C32H28Cu2GdN7O13
Triklin
Dexp Dcal d(D) h k l
8.8800 8.8706 .0094 -1 0 1
5.4900 5.4955 -.0055 0 -2 1
5.0500 5.0453 .0047 -1 -2 1
4.9400 4.9416 -.0016 2 0 0
4.6900 4.6854 .0046 -1 -2 2
4.6200 4.6285 -.0085 0 -2 2
4.5900 4.5889 .0011 -2 1 0
4.4500 4.4486 .0014 -2 1 1
4.3700 4.3620 .0080 1 2 0
4.3000 4.3051 -.0051 2 1 0
4.1300 4.1305 -.0005 -1 1 2
3.8300 3.8269 .0031 1 -2 2
A= 10.6473 DA= .0008
B= 11.086 DB= .002
C= 11.869 DC= .002
GAMMA= 85.553 DGAMMA= .006
BETA =111.3731 DBETA = .0006
ALPHA=113.728 DALPHA= .001
V=1193.1
10. 43-1915
C16H14CuHoN5O11*CH3CH2OH
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.7700 4.7684 .0016 0 2 1
4.1300 4.1305 -.0005 2 1 0
3.8900 3.8900 .0000 1 2 1
3.4500 3.4507 -.0007 2 0 1
3.3700 3.3679 .0021 1 0 2
2.7700 2.7694 .0006 -2 1 3
2.7200 2.7205 -.0005 0 1 3
2.6500 2.6509 -.0009 -1 2 3
2.3600 2.3600 .0000 -1 3 3
2.3000 2.3001 -.0001 -4 1 1
2.1200 2.1200 .0000 1 5 1
2.0700 2.0699 .0001 -2 2 4
a= 9.423 b= 11.587 c= 8.948 beta= 110.22
da= .002 db= .002 dc=.003 dbeta=.03
V= 916.7
11. 43-1916
C16H14CuN5O11Y*CH3CH2OH
Rombik
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
4.7700 4.7685 .0015 0 1 0
4.1300 4.1270 .0030 1 1 1
3.8900 3.9017 -.0117 0 1 2
3.4500 3.4556 -.0056 3 0 0
3.3500 3.3488 .0012 3 0 1
2.7700 2.7730 -.0030 2 1 3
2.7100 2.7146 -.0046 0 0 5
2.6300 2.6261 .0039 1 0 5
2.3600 2.3591 .0009 0 1 5
2.2900 2.2903 -.0003 1 2 1
2.1100 2.1093 .0007 0 2 3
2.0500 2.0496 .0004 5 0 1
a=10.367 b= 4.768 c=13.573
da= .005 db= .001 dc= .008
V= 671
12. 43-1917
C40H28Cu2LaN7O13
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
6.0500 6.0381 .0119 1 0 1
5.2000 5.2052 -.0052 -1 1 1
4.6500 4.6699 -.0199 -2 0 1
3.9800 3.9913 -.0113 -1 2 1
2.8600 2.8657 -.0057 -2 1 2
2.3100 2.3106 -.0006 2 3 2
2.1600 2.1604 -.0004 6 1 0
2.0400 2.0396 .0004 5 3 1
1.8600 1.8600 .0000 6 0 2
a= 13.23 b= 10.770 c= 6.721 beta= 88.8986
da= .01 db= .008 dc=.006 dbet= .0008
V=942.5
13. 43-1918
C40H28Cu2N7O13Pr
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
6.0500 6.0599 -.0099 1 0 0
5.2000 5.1799 .0201 0 1 1
4.7300 4.7354 -.0054 1 0 1
4.6100 4.5998 .0102 -1 0 1
3.9800 3.9788 .0012 1 1 1
3.6500 3.6566 -.0066 0 0 2
2.8700 2.8683 .0017 -1 2 1
2.3000 2.2999 .0001 -2 0 2
2.1600 2.1596 .0004 -1 3 1
2.0300 2.0304 -.0004 0 2 3
1.9400 1.9397 .0003 1 2 3
1.8500 1.8502 -.0002 2 3 1
a= 6.062 b= 7.338 c= 7.316 beta= 88.30
da=.002 db=.002 dc=.003 dbet=.03
V=325.3
14. 43-1919
C40H28Cu2N7NdO13
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.0500 6.0288 .0212 1 1 0
5.2000 5.2023 -.0023 1 1 1
4.7300 4.7248 .0052 -1 0 1
4.6100 4.5978 .0122 0 2 0
4.0100 4.0048 .0052 2 0 1
3.6000 3.6017 -.0017 0 0 2
2.8600 2.8616 -.0016 1 3 0
2.3000 2.3002 -.0002 2 1 3
2.1600 2.1600 .0000 1 4 1
2.0300 2.0297 .0003 4 1 1
1.9500 1.9506 -.0006 4 1 0
1.8600 1.8598 .0002 -3 1 2
a= 8.32 b= 9.196 c= 7.51 beta= 73.56
da=.01 db=.005 dc=.01 dbeta=.06
V= 551.4
15. 43-1920
C40H28Cu2N7O13Sm
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.0600 6.0583 .0017 1 1 0
5.1500 5.1454 .0046 -1 0 2
4.7300 4.7260 .0040 1 0 2
4.5800 4.5837 -.0037 -1 1 2
3.9800 3.9794 .0006 0 2 2
3.6200 3.6193 .0007 1 0 3
2.8900 2.8888 .0012 1 0 4
2.3000 2.3005 -.0005 2 3 2
2.1400 2.1398 .0002 2 2 4
2.0300 2.0303 -.0003 1 0 6
1.9500 1.9499 .0001 -1 4 4
1.8500 1.8500 -.0000 0 0 7
a= 7.60 b= 10.09 c= 12.998 beta= 94.92
da= .01 db=.01 dc=.002 dbeta=.04
V= 993.5
16. 43-1921
Ñ40H28Cu2GdN7O13*0.5CH3CH2OH
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.5500 6.5482 .0018 0 1 1
6.4200 6.4176 .0024 1 1 1
5.2600 5.2531 .0069 -1 0 1
3.5500 3.5468 .0032 -2 0 1
3.3300 3.3309 -.0009 1 3 1
2.9800 2.9825 -.0025 -2 2 1
2.9300 2.9287 .0013 1 0 3
2.8300 2.8305 -.0005 1 1 3
2.7500 2.7482 .0018 3 2 0
2.7500 2.7503 -.0003 3 2 2
2.4200 2.4196 .0004 2 4 1
2.1300 2.1300 -.0000 -3 0 2
2.0200 2.0207 -.0007 2 5 1
1.8100 1.8099 .0001 3 5 0
a= 10.333 b= 11.022 c= 8.844 beta= 66.99
da=.005 db=.005 dc=.002 dbeta=.01
V= 927.2
17. 43-1922
Ñ40H28Cu2N7O13Y*2CH3CH2OH
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.9800 5.9704 .0096 1 1 0
4.8900 4.8886 .0014 0 1 2
4.6500 4.6503 -.0003 -2 0 2
3.9000 3.8982 .0018 -2 1 2
3.6200 3.6179 .0021 3 0 0
3.0300 3.0286 .0014 3 1 1
2.7800 2.7801 -.0001 -1 2 3
2.5700 2.5702 -.0002 4 0 1
2.5100 2.5094 .0006 0 1 5
2.2700 2.2703 -.0003 -1 0 6
2.1500 2.1498 .0002 -4 2 2
2.0200 2.0196 .0004 -2 3 3
1.9400 1.9406 -.0006 3 3 1
1.8600 1.8601 -.0001 -5 0 5
a= 11.037 b= 7.149 c= 13.626 beta= 100.46
da= .004 db=.002 dc=.005 dbeta=.02
V= 1057.3
18. 43-1923
C16H17N3O4S*HCl*CH3CH2OH
Triklin
Dexp Dcal d(D) h k l
14.4800 14.5096 -.0296 1 0 0
10.0400 10.0127 .0273 0 -1 1
9.1600 9.1666 -.0066 -1 0 1
8.5800 8.5326 .0474 -1 1 0
7.3400 7.3409 -.0009 2 0 1
6.1000 6.1071 -.0071 2 1 0
5.7500 5.7495 .0005 2 -1 2
5.4800 5.4837 -.0037 -2 -1 1
5.0800 5.0812 -.0012 1 0 3
4.6200 4.6170 .0030 1 2 1
4.3200 4.3218 -.0018 -1 2 1
4.0200 4.0195 .0005 2 -2 3
A= 15.0833 DA= .0006
B= 11.1716 DB= .0007
C= 15.819 DC= .001
GAMMA= 92.399 DGAMMA= .003
BETA = 74.248 DBETA = .004
ALPHA=104.989 DALPHA= .005
V=2476.3
19. 43-1923
C16H17N3O4S*HCl*CH3CH2OH
Triklin
Dexp Dcal d(D) h k l
14.4800 14.5096 -.0296 1 0 0
10.0400 10.0127 .0273 0 -1 1
9.1600 9.1666 -.0066 -1 0 1
8.5800 8.5326 .0474 -1 1 0
7.3400 7.3409 -.0009 2 0 1
6.1000 6.1071 -.0071 2 1 0
5.7500 5.7495 .0005 2 -1 2
5.4800 5.4837 -.0037 -2 -1 1
5.0800 5.0812 -.0012 1 0 3
4.6200 4.6170 .0030 1 2 1
4.3200 4.3218 -.0018 -1 2 1
4.0200 4.0195 .0005 2 -2 3
A= 15.0833 DA= .0006
B= 11.1716 DB= .0007
C= 15.819 DC= .001
GAMMA= 92.399 DGAMMA= .003
BETA = 74.248 DBETA = .004
ALPHA=104.989 DALPHA= .005
V=2476.3
20. 43-1924
C16H17N3O4S*HCl*H2O
Triklin
Dexp Dcal d(D) h k l
14.0300 14.0146 .0154 0 0 1
7.0800 7.0757 .0043 0 -2 1
5.4200 5.4178 .0022 -1 1 0
4.6300 4.6278 .0022 -1 2 1
4.4100 4.4099 .0001 0 4 2
4.3100 4.3036 .0064 0 -1 3
4.1700 4.1702 -.0002 0 -4 1
3.9900 3.9882 .0018 1 -2 2
3.7800 3.7823 -.0023 1 2 3
3.7000 3.7003 -.0003 -1 -3 1
3.5500 3.5494 .0006 1 3 3
3.3800 3.3807 -.0007 -1 0 3
A= 5.646 DA= .001
B= 19.334 DB= .001
C= 14.53 DC= .01
GAMMA= 90.28 DGAMMA= .01
BETA = 82.926 DBETA = .005
ALPHA= 76.59 DALPHA= .01
V= 1529.7
21. 43-1937
C24H18Cl2CuN2O2
Triklin
Dexp Dcal d(D) h k l
8.1200 8.1040 .0160 1 0 0
7.2800 7.2747 .0053 0 1 1
5.7400 5.7452 -.0052 0 -1 1
5.3400 5.3327 .0073 -1 1 0
4.4600 4.4599 .0001 0 1 2
3.9300 3.9303 -.0003 1 1 2
3.7000 3.6993 .0007 0 -1 2
3.6000 3.6022 -.0022 -1 2 1
3.5300 3.5311 -.0011 2 0 1
3.3600 3.3606 -.0006 -2 1 0
3.2300 3.2296 .0004 -2 -2 1
3.0200 3.0199 .0001 2 1 2
A= 8.465 DA= .003
B= 9.629 DB= .004
C= 9.2665 DC= .0003
GAMMA= 74.82 DGAMMA= .01
BETA = 93.76 DBETA = .02
ALPHA= 78.12 DALPHA= .01
V= 707.6
22. 43-1938
C48H36CuN6O10
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
14.1300 14.1032 .0268 -1 0 1
9.2400 9.2309 .0091 -1 1 1
9.0100 9.0140 -.0040 -1 0 2
7.0500 7.0516 -.0016 -2 0 2
5.5800 5.5803 -.0003 -1 1 3
4.0500 4.0513 -.0013 1 2 3
3.7100 3.7093 .0007 -1 3 2
3.6600 3.6600 .0000 -2 3 1
3.1200 3.1200 .0000 3 1 4
3.0900 3.0900 .0000 0 0 6
a= 17.185 b= 12.20959 c= 19.027 beta= 102.98
da= .002 db=.00009 dc= .009 dbet=.04
V=3887.8