1. 40-0162
TiHCu0.5{PO4}2*2.5H2O
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
12.4000 12.2552 .1448 0 0 1
6.1400 6.1276 .0124 0 0 2
5.0900 5.1193 -.0293 1 0 2
4.3600 4.3537 .0063 2 0 1
3.9900 3.9844 .0056 2 1 1
3.5500 3.5560 -.0060 1 2 2
3.1500 3.1490 .0010 0 2 3
2.9300 2.9329 -.0029 2 1 3
2.6900 2.6902 -.0002 2 3 0
2.5600 2.5596 .0004 2 0 4
2.5100 2.5080 .0020 1 2 4
2.3700 2.3704 -.0004 1 0 5
a= 9.315 b= 9.886 c=12.255
da= .008 db= .001 dc= .005
V=1129
2. 40-0375
TiCaBa2Cu2Ox
Triklin
Dexp Dcal d(D) h k l
12.8790 12.4132 .4658 0 0 1
6.3969 6.3987 -.0018 -1 1 0
4.2611 4.2612 -.0001 -1 1 2
3.3120 3.3121 -.0001 1 1 4
3.1956 3.1957 -.0001 0 1 4
3.1027 3.1033 -.0006 0 0 4
2.8626 2.8628 -.0002 0 -3 2
2.7116 2.7127 -.0011 0 3 4
2.5546 2.5546 -.0000 3 -1 2
2.5257 2.5255 .0002 2 3 4
2.3332 2.3331 .0001 3 2 0
2.2012 2.2017 -.0005 -1 -2 4
A= 8.1403 DA= .0002
B= 11.3307 DB= .0008
C= 13.369 DC= .003
GAMMA= 86.697 DGAMMA= .009
BETA = 73.137 DBETA = .007
ALPHA= 75.64 DALPHA= .01
V=1142.8
3. 40-0464
Cu3.04{PO4}2{OH}0.08*2H2O
Triklin
Dexp Dcal d(D) h k l
10.7800 10.7817 -.0017 1 0 0
6.8800 6.8855 -.0055 1 1 0
5.8000 5.7982 .0018 0 -1 1
4.8200 4.8200 .0000 1 -1 1
4.3800 4.3847 -.0047 1 2 0
4.2700 4.2732 -.0032 -2 -1 1
3.9100 3.9136 -.0036 0 1 2
3.7400 3.7331 .0069 1 -2 1
3.2000 3.1991 .0009 -2 3 0
2.9800 2.9813 -.0013 1 3 1
2.6400 2.6405 -.0005 3 -2 1
2.5600 2.5601 -.0001 -4 3 1
A= 11.8734 DA= .0004
B= 10.972 DB= .002
C= 8.645 DC= .003
GAMMA=105.272 DGAMMA= .003
BETA =112.5204 DBETA = .0005
ALPHA= 74.986 DALPHA= .003
V= 987.8
4. 40-0674
{NH4}2Cu4{NH3}3Mo5O20
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
7.2321 7.2285 .0036 0 0 1
5.1343 5.1359 -.0016 1 2 0
4.7499 4.7490 .0009 0 2 1
3.7807 3.7803 .0004 2 0 1
3.6135 3.6143 -.0008 0 0 2
3.3499 3.3471 .0028 1 0 2
3.0513 3.0494 .0019 2 3 0
2.8116 2.8096 .0020 2 3 1
2.6706 2.6743 -.0037 3 1 1
2.6164 2.6174 -.0010 1 3 2
2.5676 2.5680 -.0004 2 4 0
2.4090 2.4095 -.0005 0 0 3
2.3300 2.3307 -.0007 2 3 2
2.2534 2.2517 .0017 3 1 2
a= 8.870 b=12.60 c= 7.2285
da= .004 db= .01 dc= .0007
V= 807.8
Triklin
Dexp Dcal d(D) h k l
7.2321 7.2274 .0047 1 0 0
5.1343 5.1353 -.0010 1 1 0
4.7499 4.7419 .0080 -1 0 1
3.7807 3.7801 .0006 1 0 1
3.6135 3.6137 -.0002 2 0 0
3.3499 3.3491 .0008 -2 0 1
3.0513 3.0511 .0002 1 1 1
2.8116 2.8116 .0000 0 2 0
2.6706 2.6710 -.0004 2 0 1
2.6164 2.6174 -.0010 -1 0 2
2.5676 2.5676 -.0000 2 2 0
2.4090 2.4091 -.0001 3 0 0
2.3300 2.3300 .0000 -3 -2 1
2.2534 2.2531 .0003 1 0 2
A= 7.930 DA= .002
B= 6.224 DB= .001
C= 5.635 DC= .002
GAMMA= 69.71 DGAMMA= .02
BETA =109.25 DBETA = .05
ALPHA=110.64 DALPHA= .03
V= 237.2
5. 40-1158
Al6CuLi3
Triklin
Dexp Dcal d(D) h k l
5.8700 5.8686 .0014 1 0 0
4.2200 4.2190 .0010 1 1 1
3.7000 3.6996 .0004 -1 -1 1
3.4600 3.4604 -.0004 1 0 2
3.1000 3.1019 -.0019 0 -2 1
2.3800 2.3800 -.0000 1 -2 2
2.2600 2.2611 -.0011 -1 -2 2
1.9930 1.9930 .0000 3 0 1
1.9260 1.9258 .0002 3 1 0
1.7610 1.7609 .0001 -1 2 3
1.7090 1.7091 -.0001 3 2 2
1.6380 1.6380 -.0000 1 4 1
A= 6.0142 DA= .0006
B= 6.7945 DB= .0008
C= 7.5561 DC= .0001
GAMMA= 85.01 DGAMMA= .01
BETA = 78.447 DBETA = .007
ALPHA= 90.17 DALPHA= .02
V= 301.3
6. 40-1285
Al56.1Cu10.2Li33.7
Triklin
Dexp Dcal d(D) h k l
10.0850 10.2841 -.1991 0 0 1
5.9275 5.9423 -.0148 0 1 0
4.2311 4.2310 .0001 0 -1 2
3.6636 3.6630 .0006 -1 1 0
3.4428 3.4425 .0003 -1 0 2
2.7691 2.7697 -.0006 -1 1 2
2.3809 2.3809 -.0000 1 -2 2
2.2642 2.2646 -.0004 2 -1 1
1.9959 1.9957 .0002 2 2 1
1.9261 1.9264 -.0003 -1 -3 1
1.7526 1.7525 .0001 -2 2 1
1.7046 1.7035 .0011 -1 3 1
A= 5.1249 DA= .0009
B= 6.046 DB= .002
C= 10.45 DC= .01
GAMMA= 84.432 DGAMMA= .001
BETA = 85.13 DBETA = .06
ALPHA= 98.489 DALPHA= .08
V=316.4
7. 40-1325
Cu2Te
Triklin
Dexp Dcal d(D) h k l
3.6117 3.6104 .0013 -1 -2 1
3.2348 3.2329 .0019 0 -3 1
2.8885 2.8879 .0006 0 -2 2
2.7285 2.7289 -.0004 -2 1 0
2.5510 2.5487 .0023 0 -4 1
2.4657 2.4653 .0004 1 1 2
2.4080 2.4081 -.0001 0 3 2
2.2798 2.2804 -.0006 1 -4 1
2.1732 2.1734 -.0002 0 5 0
2.1136 2.1143 -.0007 -1 -2 3
2.0892 2.0891 .0001 0 -5 1
2.0074 2.0075 -.0001 -2 4 0
A= 5.76501 DA= .00000
B= 10.8930 DB= .0001
C= 6.9192 DC= .0001
GAMMA= 93.351 DGAMMA= .001
BETA =105.527 DBETA = .001
ALPHA= 91.1481 DALPHA= .0007
V=417.7
8. 40-1541
C8H14CuN6O3S2
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
10.9900 11.0807 -.0907 -1 0 1
8.6200 8.6599 -.0399 1 1 0
6.7100 6.7119 -.0019 -1 0 2
6.3500 6.3463 .0037 -2 0 1
5.7100 5.7118 -.0018 2 0 0
5.5400 5.5403 -.0003 -2 0 2
5.2400 5.2470 -.0070 2 1 0
4.7200 4.7201 -.0001 -1 2 2
4.4700 4.4701 -.0001 2 0 1
4.3300 4.3299 .0001 2 2 0
a= 12.701 b= 13.28 c= 13.50 beta= 115.92
da= .008 db=.02 dc=.01 dbet= .01
V=2046
9. 40-1543
C12H10CuN4S2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.0700 7.0755 -.0055 0 0 2
5.2400 5.2345 .0055 2 1 0
4.9800 4.9786 .0014 -3 0 1
4.2100 4.2100 .0000 -3 0 3
4.0200 4.0188 .0012 0 2 0
3.8300 3.8296 .0004 -1 2 1
3.7200 3.7213 -.0013 -4 0 2
3.5900 3.5895 .0005 1 1 3
3.3900 3.3904 -.0004 -2 2 2
3.0700 3.0704 -.0004 -2 0 5
2.9300 2.9304 -.0004 -5 0 1
2.8400 2.8392 .0008 1 2 3
a= 14.971 b= 8.037 c= 15.36 beta= 112.85
da= .007 db=.001 dc= .01 dbeta=.009
V= 1703
Triklin
Dexp Dcal d(D) h k l
7.0700 7.0671 .0029 0 1 1
5.2400 5.2374 .0026 0 -1 1
4.9800 4.9792 .0008 1 -1 1
4.2100 4.2112 -.0012 0 2 0
4.0200 4.0152 .0048 2 -1 1
3.8300 3.8294 .0006 -1 2 0
3.7200 3.7171 .0029 -1 2 1
3.5900 3.5912 -.0012 -1 1 2
3.3900 3.3910 -.0010 0 -2 1
3.0700 3.0693 .0007 3 2 1
2.9300 2.9315 -.0015 0 3 1
2.8400 2.8402 -.0002 -3 1 1
A= 11.2144 DA= .0002
B= 8.92135 DB= .00002
C= 9.28337 DC= .00003
GAMMA= 80.674 DGAMMA= .001
BETA = 71.2288 DBETA = .0009
ALPHA= 71.0984 DALPHA= .0007
V=830.9
10. 40-1545
C14H14CuN4S2
Triklin
Dexp Dcal d(D) h k l
9.1200 9.0931 .0269 -1 1 0
7.6900 7.7040 -.0140 1 1 0
5.4500 5.4633 -.0133 1 0 1
5.1300 5.1292 .0008 0 2 0
4.6100 4.6083 .0017 -3 1 0
4.3500 4.3527 -.0027 2 -1 1
4.1900 4.1844 .0056 -2 1 1
4.0300 4.0372 -.0072 3 1 0
3.9000 3.9070 -.0070 0 2 1
3.6900 3.6900 .0000 1 2 1
3.4800 3.4779 .0021 -1 -2 1
3.2100 3.2109 -.0009 3 2 0
A= 14.44 DA= .01
B= 10.420 DB= .006
C= 5.760 DC= .001
GAMMA= 99.83 DGAMMA= .09
BETA = 86.18 DBETA = .09
ALPHA= 88.31 DALPHA= .08
V=852.6
11. 40-1787
C12H16Cl2CuN4O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.0100 8.0130 -.0030 1 1 0
6.4200 6.3979 .0221 0 2 0
5.8100 5.8214 -.0114 1 1 1
5.5700 5.5624 .0076 0 2 1
5.4200 5.4315 -.0115 1 2 0
5.3400 5.3417 -.0017 -1 1 2
5.0400 5.0140 .0260 -2 1 1
4.7600 4.7687 -.0087 2 1 0
4.4200 4.4126 .0074 -2 1 2
3.9500 3.9543 -.0043 2 1 1
3.8200 3.8222 -.0022 -1 1 3
3.6500 3.6525 -.0025 -3 0 1
a= 10.970 b= 12.796 c= 12.017 beta= 110.46
da=.002 db= .002 dc=.007 dbeta=.09
V= 1580
Triklin
Dexp. Dcal. d(D) h k l
8.0100 8.0098 .0002 2 0 0
6.4200 6.4206 -.0006 -2 -1 0
5.8100 5.8095 .0005 -1 -2 0
5.5700 5.5583 .0117 2 -2 0
5.4200 5.4186 .0014 1 2 1
5.3400 5.3399 .0001 3 0 0
5.0400 5.0379 .0021 -2 2 1
4.7600 4.7510 .0090 -2 -2 0
4.4200 4.4201 -.0001 0 -3 0
3.9500 3.9505 -.0005 -1 1 2
3.8200 3.8173 .0027 -1 2 2
3.6500 3.6506 -.0006 2 1 2
A= 16.2254 DA= .0009
B= 13.99 DB= .01
C= 8.170 DC= .005
GAMMA= 98.59 DGAMMA= .07
BETA = 89.46 DBETA = .03
ALPHA= 73.66 DALPHA= .06
V= 1758
12. 40-1792
C8H12Cl2CuN4O4
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
7.1400 7.1737 -.0337 0 2 0
6.5600 6.6205 -.0605 1 2 0
5.3100 5.3220 -.0120 3 1 0
4.8000 4.7824 .0176 0 3 0
4.1800 4.1792 .0008 2 3 0
4.1300 4.1174 .0126 4 1 0
3.6700 3.6719 -.0019 3 3 0
3.4400 3.4385 .0015 5 0 0
3.3400 3.3438 -.0038 5 1 0
3.2800 3.2802 -.0002 2 1 1
3.0500 3.0498 .0002 2 2 1
a=17.19 b=14.35 c= 3.662
da= .01 db= .04 dc= .002
V= 903
13. 40-1795
C8H8N6O8Zn*H2O
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
9.9500 9.9257 .0243 0 0 1
6.7300 6.7084 .0216 1 1 1
5.5400 5.5459 -.0059 1 2 0
4.9300 4.9629 -.0329 0 0 2
4.8300 4.8414 -.0114 1 2 1
4.6700 4.6698 .0002 1 0 2
4.5300 4.5510 -.0210 2 2 0
4.3600 4.3572 .0028 1 1 2
3.8500 3.8389 .0111 0 2 2
3.7100 3.6983 .0117 1 2 2
3.6100 3.6100 .0000 1 3 1
3.4900 3.4846 .0054 2 3 0
3.3800 3.3727 .0073 3 0 2
3.3400 3.3542 -.0142 2 2 2
a=13.79 b=12.11 c= 9.926
da= .07 db= .01 dc= .004
V=1658
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.9500 9.9401 .0099 0 0 1
6.7300 6.7290 .0010 -1 1 1
5.5400 5.5421 -.0021 0 2 0
4.9300 4.9430 -.0130 1 1 1
4.8300 4.8209 .0091 -1 1 2
4.6700 4.6725 -.0025 1 2 0
4.5300 4.5350 -.0050 0 1 2
4.3600 4.3684 -.0084 -2 1 1
3.8500 3.8506 -.0006 -1 2 2
3.7100 3.7120 -.0020 1 0 2
3.6100 3.6079 .0021 -2 2 1
3.4900 3.4932 -.0032 2 0 1
3.3800 3.3797 .0003 -2 0 3
3.3400 3.3317 .0083 2 1 1
a= 9.51 b= 11.084 c=10.88 beta= 114.0
da= .02 db= .004 dc=.05 dbeta=.2
V= 1048
Triklin
Dexp Dcal d(D) h k l
9.9500 9.9448 .0052 1 0 0
6.7300 6.7569 -.0269 0 1 1
5.5400 5.5409 -.0009 0 -1 1
4.9300 4.9275 .0025 0 2 0
4.8300 4.8242 .0058 -2 1 0
4.6700 4.6702 -.0002 1 1 1
4.5300 4.5293 .0007 1 -1 1
4.3600 4.3660 -.0060 -2 2 1
3.8500 3.8521 -.0021 0 1 2
3.7100 3.7083 .0017 -2 2 2
3.6100 3.6101 -.0001 -1 -2 1
3.4900 3.4898 .0002 -1 3 1
3.3800 3.3784 .0016 0 2 2
3.3400 3.3400 -.0000 -3 1 0
A= 11.25 DA= .01
B= 10.531 DB= .002
C= 8.713 DC= .003
GAMMA=107.16 DGAMMA= .06
BETA =115.81 DBETA = .03
ALPHA= 72.421 DALPHA= .005
V=868.9
14. 40-1806
C16H6CuN4O4
Rombik
Groupa 34,58
Dexp. Dcal. d(D) h k l
7.4700 7.4571 .0129 0 2 0
6.1900 6.2134 -.0234 1 1 0
5.0700 5.0386 .0314 1 2 0
4.0100 4.0203 -.0103 1 3 0
3.7300 3.7285 .0015 0 4 0
3.2700 3.2705 -.0005 0 1 1
3.0100 3.0096 .0004 1 0 1
a= 6.83 b=14.91 c= 3.352
da= .04 db= .01 dc= .004
V= 342
15. 40-1807
C12H8CuN2O4
Monoklin
GRUPA 4,11
Dexp. Dcal. d(D) h k l
8.7100 8.7007 .0093 0 1 1
7.2500 7.2493 .0007 1 1 1
4.9600 4.9592 .0008 -1 0 2
4.4400 4.4384 .0016 -2 0 1
4.2600 4.2609 -.0009 1 2 2
3.7700 3.7696 .0004 2 0 3
3.3900 3.3896 .0004 3 1 1
3.0800 3.0800 .0000 2 0 4
a= 10.621 b= 11.8000 c= 13.2599 beta= 76.2449
da=.002 db=.0007 dc= 9.7275 dbet=.0005
V=1614
1. 41-0022
TiHCu0.5{PO4}2*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.7000 10.7970 -.0970 0 0 1
6.0300 6.0324 -.0024 1 1 0
5.4000 5.3985 .0015 0 0 2
5.0200 5.0304 -.0104 -1 0 2
4.7500 4.7500 .0000 0 1 2
4.5300 4.5354 -.0054 0 2 1
3.7200 3.7212 -.0012 1 2 1
3.1500 3.1507 -.0007 2 1 1
2.9200 2.9205 -.0005 0 2 3
2.7000 2.6993 .0007 0 0 4
2.5300 2.5296 .0004 -2 3 1
a= 7.815 b= 9.996 c=11.15 beta= 104.5
da=.007 db=.005 dc=.01 dbeta=.1
V= 843.4
2. 41-0182
Cu0.0895Mn0.9105O2
Rombik
Groupa 30,53
Dexp. Dcal. d(D) h k l
3.8750 3.8749 .0001 1 1 0
2.8490 2.8491 -.0001 2 1 0
2.4270 2.4270 .0000 3 0 0
2.1460 2.1460 .0000 0 0 2
1.6650 1.6650 .0000 3 2 0
a= 7.281 b= 4.577 c= 4.292
da= .001000 db= .001 dc= .001
V= 143.03
3. 41-0183
Cu0.139Mn0.861O2
Geksag.
Grupa 143
Dexp. Dcal. d(D) h k l
3.8690 3.8685 .0005 2 0 0
2.4080 2.4092 -.0012 3 0 1
2.1210 2.1204 .0006 2 2 1
1.4300 1.4290 .0010 4 2 1
1.3500 1.3504 -.0004 4 1 3
a= 8.934 c= 6.74999
da= .006 dc= .00001
V= 466.6
Rombik
Groupa 54
Dexp. Dcal. d(D) h k l
3.8690 3.8700 -.0010 0 1 0
2.4080 2.4080 .0000 0 0 2
2.1210 2.1225 -.0015 2 0 2
1.4300 1.4300 .0000 2 2 2
1.3500 1.3500 .0000 5 1 2
a= 8.988 b= 3.870 c= 4.816
da= .001 db= .001 dc= .001
V= 167.5
4. 41-0184
Cu0.451Mn0.549O2
Rombik
Groupa 29, 57
Dexp. Dcal. d(D) h k l
2.7530 2.7563 -.0033 1 1 2
2.5340 2.5380 -.0040 0 2 2
2.4240 2.4179 .0061 2 0 2
2.3250 2.3260 -.0010 2 1 2
2.1560 2.1579 -.0019 3 2 0
1.8770 1.8773 -.0003 4 0 0
1.7040 1.7036 .0004 0 5 0
1.5860 1.5858 .0002 4 1 2
1.5100 1.5093 .0007 4 2 2
1.4160 1.4163 -.0003 5 2 0
1.3780 1.3781 -.0001 2 2 4
a= 7.50901 b= 8.5182 c= 6.321
da= .00008 db= .0001 dc= .001
V= 404.3
Triklin
Dexp Dcal d(D) h k l
2.7530 2.7530 -.0000 -1 1 1
2.5340 2.5340 .0000 0 -1 1
2.4240 2.4240 -.0000 1 -1 1
2.3250 2.3253 -.0003 -2 1 1
2.1560 2.1561 -.0001 2 -1 1
1.8770 1.8770 .0000 0 -2 1
1.7040 1.7041 -.0001 1 3 1
1.5860 1.5861 -.0001 1 0 2
1.5100 1.5099 .0001 3 3 1
1.4160 1.4162 -.0002 -5 0 1
1.3780 1.3779 .0001 -5 1 1
A= 8.1411 DA= .0005
B= 5.4734 DB= .0006
C= 3.27346 DC= .00002
GAMMA= 85.263 DGAMMA= .006
BETA = 86.113 DBETA = .001
ALPHA= 78.311 DALPHA= .001
V= 142.1
5. 41-0345
Li1.5CuO2
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
4.8400 4.8176 .0224 0 0 1
3.5800 3.5659 .0141 0 2 0
2.8700 2.8662 .0038 0 2 1
2.7800 2.7837 -.0037 1 0 1
2.4700 2.4648 .0052 1 2 0
2.1300 2.1318 -.0018 0 3 1
1.9500 1.9503 -.0003 1 3 0
a= 3.411 b= 7.132 c= 4.818
da= .003 db= .004 dc= .002
V= 117.2
6. 41-0453
YBa2Cu3O9-x
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
4.9800 4.9807 -.0007 -1 1 1
4.0500 4.0466 .0034 0 2 0
3.1200 3.1206 -.0006 1 2 1
3.0400 3.0395 .0005 2 2 0
2.9100 2.9101 -.0001 -3 1 1
2.8700 2.8699 .0001 3 1 0
2.5100 2.5083 .0017 0 3 1
2.4700 2.4702 -.0002 -3 2 1
2.0400 2.0403 -.0003 -3 3 1
1.8800 1.8795 .0005 -4 0 3
1.7000 1.7002 -.0002 -4 3 2
1.6600 1.6602 -.0002 -3 3 3
1.5700 1.5700 -.0000 0 2 4
a= 9.536 b= 8.093 c= 7.0566 beta= 105.068
da= .008 db=.002 dc=.0002 dbeta=.005
V= 525.9
Triklin
Dexp Dcal d(D) h k l
4.9800 4.9796 .0004 -1 0 1
4.0500 4.0497 .0003 1 1 0
3.1200 3.1196 .0004 -1 -1 2
3.0400 3.0400 .0000 -1 -2 1
2.9100 2.9083 .0017 0 0 2
2.8700 2.8709 -.0009 -1 2 0
2.5100 2.5096 .0004 0 -2 2
2.4700 2.4705 -.0005 0 1 2
2.0400 2.0397 .0003 1 3 0
1.8800 1.8801 -.0001 0 -2 3
1.7000 1.7001 -.0001 -3 -2 2
1.6600 1.6599 .0001 -3 0 3
1.5700 1.5700 .0000 2 -2 2
A= 5.66734 DA= .00003
B= 6.9532 DB= .0002
C= 6.531 DC= .001
GAMMA= 86.140 DGAMMA= .008
BETA =113.71 DBETA = .01
ALPHA=103.84 DALPHA= .01
V= 228.68
7. 41-0454
Ba5Cu7Y7Ox
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
4.4400 4.4319 .0081 1 0 1
3.0800 3.0822 -.0022 1 2 1
3.0300 3.0243 .0057 1 0 2
2.6600 2.6559 .0041 0 3 1
2.4700 2.4717 -.0017 1 2 2
2.1300 2.1306 -.0006 1 1 3
1.9300 1.9305 -.0005 1 4 1
1.8800 1.8800 .0000 3 0 0
1.6000 1.6000 .0000 1 5 1
a= 5.640 b= 8.5786 c= 7.16593
da= .001 db= .0003 dc= .0006
V= 346.7
8. 41-0455
YBa3Cu4Ox
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.1100 3.1099 .0001 2 1 0
2.9700 2.9695 .0005 0 2 1
2.9200 2.9203 -.0003 -1 1 2
2.2000 2.1999 .0001 0 3 0
1.9800 1.9791 .0009 1 1 3
1.8700 1.8700 -.0000 0 2 3
1.7700 1.7701 -.0001 -4 0 1
1.7400 1.7404 -.0004 -2 2 3
1.6500 1.6500 .0000 0 4 0
1.5900 1.5904 -.0004 3 2 2
1.5600 1.5598 .0002 -4 2 1
a= 7.1271 b= 6.5998 c= 6.882 beta= 98.34
da= .0002 db=.0002 dc=.002 dbeta=.07
V= 320.3
9. 41-0456
Ba3Cu2YOx
Triklin
Dexp Dcal d(D) h k l
4.1200 4.1207 -.0007 1 0 0
4.0130 4.0121 .0009 1 1 0
3.0030 3.0039 -.0009 1 0 1
2.9130 2.9114 .0016 0 0 2
2.8760 2.8777 -.0017 0 -2 1
2.3540 2.3534 .0006 1 3 0
2.0570 2.0582 -.0012 0 3 2
2.0010 2.0011 -.0001 -2 -2 1
1.8370 1.8370 .0000 -1 3 2
1.6700 1.6699 .0001 0 3 3
1.6490 1.6490 .0000 2 -1 1
1.4520 1.4518 .0002 -2 3 2
A= 4.3626 DA= .0006
B= 7.584 DB= .003
C= 6.0917 DC= .0002
GAMMA= 78.75 DGAMMA= .01
BETA =103.79 DBETA = .01
ALPHA= 82.986 DALPHA= .007
V=188.9
10. 41-0625
{NH4}2Cu4{NH3}3Cr5O20
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
7.1965 7.1714 .0251 0 1 0
5.0186 5.0354 -.0168 2 1 0
3.7233 3.7274 -.0041 3 0 2
3.3055 3.3074 -.0019 3 1 2
2.9749 2.9756 -.0007 1 0 4
2.7548 2.7553 -.0005 5 0 1
2.6390 2.6399 -.0009 1 2 3
2.5579 2.5571 .0008 3 0 4
2.3907 2.3905 .0002 0 3 0
2.3267 2.3266 .0001 4 2 2
2.3202 2.3205 -.0003 0 2 4
2.2091 2.2079 .0012 5 1 3
a=14.143700 b= 7.171390 c=12.175050
da= .002813 db= .004314 dc= .001153
V=1234.9
11. 41-0961
CuSb2F12
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
4.9600 4.9551 .0049 0 1 1
3.6800 3.6813 -.0013 1 1 1
3.5400 3.5752 -.0352 -2 0 1
2.8900 2.8914 -.0014 -1 0 3
2.0600 2.0615 -.0015 0 0 4
1.7900 1.7891 .0009 -2 3 1
1.6800 1.6812 -.0012 -1 3 3
1.6000 1.6006 -.0006 -3 0 5
1.5200 1.5210 -.0010 4 1 1
1.4600 1.4594 .0006 0 3 4
1.4000 1.3998 .0002 -4 1 5
1.3500 1.3500 -.0000 0 4 3
a= 7.18 b= 6.199 c= 8.707 beta= 108.7
da=.02 db= .006 dc= .007 dbet=.1
V=365.1
Triklin
Dexp Dcal d(D) h k l
4.9600 4.9628 -.0028 0 0 1
3.6800 3.6818 -.0018 0 -2 1
3.5400 3.5396 .0004 -1 1 0
2.8900 2.8902 -.0002 1 0 1
2.2500 2.2499 .0001 -1 3 0
2.0600 2.0599 .0001 1 -1 2
1.7900 1.7901 -.0001 -2 1 1
1.6800 1.6799 .0001 -1 -4 2
1.6000 1.6000 .0000 0 3 2
1.5200 1.5200 .0000 2 3 0
1.4600 1.4600 -.0000 -1 -5 2
1.4000 1.4000 .0000 2 -3 2
1.3500 1.3500 -.0000 0 -6 2
A= 3.8654 DA= .0001
B= 8.3683 DB= .0007
C= 5.2109 DC= .0007
GAMMA= 91.405 DGAMMA= .004
BETA = 95.550 DBETA = .005
ALPHA=106.6716 DALPHA= .0003
V= 160.48
12. 41-1033
Cu5Ge2S7
Groupa 34,58
Dexp. Dcal. d(D) h k l
3.0400 3.0457 -.0057 1 1 2
3.0300 3.0198 .0102 3 1 0
2.6710 2.6714 -.0004 2 1 2
2.6170 2.6177 -.0007 1 3 1
2.6050 2.6022 .0028 3 2 0
1.8690 1.8683 .0007 4 3 0
1.8650 1.8662 -.0012 0 4 2
1.8540 1.8554 -.0014 5 0 1
1.8400 1.8399 .0001 3 3 2
1.6050 1.6052 -.0002 0 2 4
1.5840 1.5833 .0007 1 2 4
1.5790 1.5795 -.0005 3 3 3
1.5730 1.5722 .0008 5 3 1
a= 9.633 b= 8.8826 c= 6.886
da= .005 db= .0001 dc= .008
V= 589.2
13. 41-1034
Cu7Ge3S10
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
3.0400 3.0418 -.0018 0 2 0
2.6440 2.6400 .0040 0 0 3
2.6030 2.6064 -.0034 2 1 0
1.8730 1.8728 .0002 1 0 4
1.8700 1.8687 .0013 3 0 1
1.8600 1.8596 .0004 1 3 1
1.8540 1.8548 -.0008 2 1 3
1.5950 1.5948 .0002 1 2 4
1.5760 1.5767 -.0007 2 1 4
a= 5.7691 b= 6.0836 c= 7.9200
da= .0009 db= .0008 dc= .0006
V= 277.97
14. 41-1510
C12H16CuLi3O8S4*5H2O
Triklin
Dexp Dcal d(D) h k l
13.5000 13.4908 .0092 0 0 1
9.5000 9.5157 -.0157 0 1 0
6.7000 6.7007 -.0007 2 0 1
5.9400 5.9379 .0021 2 0 2
4.4300 4.4303 -.0003 0 2 2
4.2700 4.2711 -.0011 2 2 1
3.5800 3.5788 .0012 2 -2 1
3.3200 3.3184 .0016 -2 -2 1
3.1200 3.1187 .0013 1 3 3
2.9800 2.9806 -.0006 2 0 5
2.8400 2.8426 -.0026 -4 1 0
2.6400 2.6396 .0004 0 2 5
A= 13.640 DA= .003
B= 9.98361 DB= .00001
C= 15.61 DC= .01
GAMMA= 79.38 DGAMMA= .04
BETA = 63.01 DBETA = .02
ALPHA= 72.70 DALPHA= .03
V=1806.4
15. 41-1511
C12H16CuNa3O8S4*10H2O
Triklin
Dexp Dcal d(D) h k l
13.0000 13.0045 -.0045 1 0 0
7.1000 7.0932 .0068 0 1 1
6.6000 6.5933 .0067 0 -1 1
5.6700 5.6480 .0220 1 2 0
5.4600 5.4579 .0021 -1 1 1
5.0400 5.0338 .0062 -2 1 0
4.7200 4.7224 -.0024 -2 0 1
4.6600 4.6514 .0086 2 -1 1
4.3500 4.3536 -.0036 0 0 2
4.0700 4.0685 .0015 2 0 2
3.6700 3.6699 .0001 0 3 0
3.4100 3.4093 .0007 3 2 2
A= 13.9786 DA= .0001
B= 11.55965 DB= .00003
C= 9.0354 DC= .0004
GAMMA= 72.775 DGAMMA= .001
BETA = 75.112 DBETA = .001
ALPHA= 81.649 DALPHA= .001
V=1344
16. 41-1512
C24H32Ca3Cu2O16S8*20H2O
Triklin
Dexp Dcal d(D) h k l
10.6000 10.6217 -.0217 1 0 0
9.2000 9.2168 -.0168 1 1 0
6.1400 6.1255 .0145 1 0 2
5.7100 5.6973 .0127 0 -1 2
5.2400 5.2304 .0096 2 0 2
4.5800 4.5786 .0014 -1 -1 2
4.2900 4.2933 -.0033 2 2 1
4.0400 4.0398 .0002 0 1 2
3.9100 3.9113 -.0013 3 1 0
3.6800 3.6738 .0062 3 2 0
3.5400 3.5406 -.0006 3 0 0
3.4800 3.4853 -.0053 -2 -1 2
A= 12.680 DA= .002
B= 10.552 DB= .002
C= 12.575 DC= .006
GAMMA= 72.42 DGAMMA= .02
BETA = 67.916 DBETA = .001
ALPHA=102.91 DALPHA= .01
V=1374
17. 41-1522
C20H16Cl2CuN4O2
Triklin
Dexp Dcal d(D) h k l
9.2800 9.2866 -.0066 1 0 0
7.9600 7.9588 .0012 0 0 1
5.6800 5.6858 -.0058 0 -2 1
4.5500 4.5504 -.0004 -2 1 0
3.9300 3.9304 -.0004 2 -1 1
3.7500 3.7500 -.0000 0 1 2
3.6500 3.6501 -.0001 -1 -1 2
3.2800 3.2801 -.0001 2 -3 1
3.1400 3.1400 .0000 -1 4 1
2.6300 2.6299 .0001 -2 -3 2
2.4700 2.4699 .0001 2 -4 2
2.2900 2.2900 .0000 -1 -6 1
1.9200 1.9200 .0000 3 -3 3
A= 9.332 DA= .001
B= 14.8397 DB= .0006
C= 8.0017 DC= .0008
GAMMA= 95.10 DGAMMA= .01
BETA = 91.9654 DBETA = .0006
ALPHA= 95.42 DALPHA= .01
V= 1097.8
18. 41-1556
C20H36CuN12O2P2
Triklin
Dexp Dcal d(D) h k l
11.7500 11.7656 -.0156 1 0 0
8.3000 8.3051 -.0051 0 1 1
7.4200 7.4169 .0031 1 1 1
7.1400 7.1415 -.0015 1 -1 1
5.9100 5.9056 .0044 2 0 1
5.6500 5.6517 -.0017 -1 -1 1
5.4100 5.4061 .0039 0 2 1
5.0500 5.0555 -.0055 1 1 2
4.8800 4.8849 -.0049 1 -2 1
4.5900 4.5903 -.0003 -2 0 1
4.1400 4.1405 -.0005 2 2 1
A= 12.303 DA= .008
B= 11.882 DB= .007
C= 10.957 DC= .0025
GAMMA= 92.83 DGAMMA= .06
BETA = 73.62 DBETA = .01
ALPHA= 84.48 DALPHA= .02
V= 1524.7
19. 41-1557
C54H44CuO6P2S2
Triklin
Dexp Dcal d(D) h k l
11.4000 11.3888 .0112 1 0 0
8.2200 8.2360 -.0160 1 -1 0
7.2000 7.1992 .0008 0 0 1
6.2800 6.2803 -.0003 -1 0 1
5.7700 5.7734 -.0034 1 1 0
5.0500 5.0501 -.0001 1 1 1
4.7000 4.6999 .0001 -1 2 1
4.1300 4.1292 .0008 0 2 0
3.9600 3.9600 -.0000 -3 1 1
3.0500 3.0500 .0000 -4 1 0
A= 12.509 DA= .006
B= 9.657 DB= .007
C= 7.876 DC= .006
GAMMA=114.15 DGAMMA= .03
BETA =102.74 DBETA = .01
ALPHA= 66.38 DALPHA= .03
V= 793.6
20. 41-1590
C26H38CuO12S2
Monoklin
GRUPA 14
Dexp. Dcal. d(D) h k l
9.7821 9.8903 -.1082 0 1 1
6.5012 6.5014 -.0002 0 1 2
5.2584 5.3003 -.0419 1 2 1
4.5988 4.5997 -.0009 1 1 3
4.4045 4.3793 .0252 2 1 0
3.9480 3.9430 .0050 1 3 1
3.5900 3.5945 -.0045 0 1 4
3.4504 3.4524 -.0020 -2 1 2
3.2737 3.2752 -.0015 1 3 3
3.2295 3.2257 .0038 2 1 4
3.1404 3.1382 .0022 3 0 2
2.7207 2.7223 -.0016 0 2 5
2.6069 2.6107 -.0038 2 2 5
2.4194 2.4248 -.0054 -2 4 2
a= 9.56 b= 3.19 c= 15.39 beta=76.1
da=.09 db=.03 dc= .04 dbet= .4
V=1799.6
Triklin
Dexp Dcal d(D) h k l
9.7821 9.7677 .0144 1 0 0
6.5012 6.5025 -.0013 0 1 1
5.2584 5.2616 -.0032 0 -1 1
4.5988 4.5996 -.0008 1 1 1
4.4045 4.4055 -.0010 0 2 0
3.9480 3.9485 -.0005 -2 2 1
3.5900 3.5891 .0009 2 0 1
3.4504 3.4506 -.0002 -2 2 2
3.2737 3.2746 -.0009 1 -2 1
3.2295 3.2299 -.0004 -3 1 0
3.1404 3.1405 -.0001 1 1 2
2.7207 2.7202 .0005 -2 3 0
2.6069 2.6069 -.0000 3 -1 1
2.4194 2.4193 .0001 -1 -1 3
A= 10.7945 DA= .0008
B= 9.3307 DB= .002
C= 8.553 DC= .001
GAMMA=104.99 DGAMMA= .02
BETA =113.50 DBETA = .01
ALPHA= 73.167 DALPHA= .009
V= 746.1
21. 41-1720
C16H8CuMnN2O6*5H2O
Rombik
Grupa 34,58
Dexp. Dcal. d(D) h k l
4.5000 4.5050 -.0050 2 0 0
3.8300 3.8256 .0044 2 1 0
3.3600 3.3606 -.0006 1 2 0
3.3100 3.3190 -.0090 0 1 1
2.3400 2.3403 -.0003 3 0 1
a= 9.010 b= 7.244 c= 3.734
da= .001 db= .001 dc= .001
V= 243.7
22. 41-1721
C16H8CuMnN2O6*H2O
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
4.0800 4.0798 .0002 2 1 0
3.5800 3.5924 -.0124 1 2 0
3.2000 3.1993 .0007 3 0 0
3.0300 3.0296 .0004 1 0 1
2.2600 2.2600 .0000 3 0 1
a= 9.598 b= 7.748 c= 3.193
da= .001 db= .001 dc= .001
V= 237.4