1. 41-0457
KCoPO4*H2O
Triklin
Dexp Dcal d(D) h k l
8.2530 8.2590 -.0060 0 0 1
4.6350 4.6295 .0055 0 -2 1
4.1390 4.1344 .0046 1 1 0
3.6510 3.6509 .0001 -1 0 1
3.3330 3.3287 .0043 1 2 0
2.7940 2.7923 .0017 -1 0 2
2.7530 2.7530 .0000 0 0 3
2.7320 2.7324 -.0004 -1 -2 2
2.4710 2.4705 .0005 1 2 2
2.3900 2.3896 .0004 -1 3 0
2.1970 2.1976 -.0006 2 1 0
2.1390 2.1396 -.0006 0 3 2
A= 4.492 DA= .001
B= 9.5499 DB= .0007
C= 8.7909 DC= .0003
GAMMA= 87.362 DGAMMA= .004
BETA = 81.56 DBETA = .01
ALPHA=107.609 DALPHA= .009
V= 353.9
2. 41-0458
KCoPO4
Triklin
Dexp Dcal d(D) h k l
6.1810 6.1758 .0052 0 1 1
6.0760 6.0553 .0207 0 -1 1
4.5920 4.5807 .0113 -1 0 1
4.3810 4.3794 .0016 1 -1 1
4.2750 4.2765 -.0015 -1 1 1
4.0220 4.0241 -.0021 -1 1 2
3.8690 3.8712 -.0022 -1 0 3
3.4050 3.4100 -.0050 1 1 0
3.3540 3.3503 .0037 1 1 2
3.1720 3.1743 -.0023 0 2 0
3.1430 3.1423 .0007 -1 0 5
3.1180 3.1191 -.0011 1 0 6
A= 4.964 DA= .005
B= 6.578 DB= .001
C= 22.846 DC= .006
GAMMA=105.03 DGAMMA= .05
BETA = 84.80 DBETA = .01
ALPHA= 89.257 DALPHA= .001
V= 717.0
3. 41-0459
K3Co9{PO4}7*10H2O
Triklin
Dexp Dcal d(D) h k l
11.3930 11.3906 .0024 1 0 0
9.8800 9.8720 .0080 0 1 0
6.9590 6.9565 .0025 0 1 1
5.7130 5.7028 .0102 2 0 1
4.9330 4.9346 -.0016 -1 -1 1
4.7550 4.7568 -.0018 2 1 1
4.4970 4.4980 -.0010 0 0 2
3.9390 3.9402 -.0012 2 -1 2
3.7920 3.7912 .0008 -1 0 2
3.4040 3.4038 .0002 -1 -1 2
3.1900 3.1897 .0003 0 -2 2
3.1560 3.1563 -.0003 -3 0 1
A= 12.110 DA= .001
B= 9.986 DB= .004
C= 9.4995 DC= .0009
GAMMA= 97.11 DGAMMA= .02
BETA = 71.916 DBETA = .001
ALPHA= 87.52 DALPHA= .01
V=1081.4
4. 41-0460
K3Co9{PO4}7
Triklin
Dexp Dcal d(D) h k l
6.2190 6.2274 -.0084 0 1 1
4.5700 4.5557 .0143 0 -1 1
4.2910 4.2861 .0049 2 1 0
4.0860 4.0816 .0044 -2 0 1
3.8800 3.8805 -.0005 2 0 1
3.4460 3.4496 -.0036 -2 -1 1
3.1130 3.1137 -.0007 0 2 2
2.9220 2.9212 .0008 -2 1 2
2.8670 2.8676 -.0006 -2 0 2
2.8300 2.8308 -.0008 2 1 2
2.8110 2.8114 -.0004 0 3 1
2.7260 2.7252 .0008 1 3 1
A= 9.823 DA= .001
B= 8.4755 DB= .0006
C= 7.157 DC= .002
GAMMA= 87.92 DGAMMA= .03
BETA = 92.27 DBETA = .02
ALPHA= 72.23 DALPHA= .02
V=566
5. 41-0461
K3Co9{PO4}7
Triklin
Dexp Dcal d(D) h k l
8.3300 8.3508 -.0208 0 1 1
5.8290 5.8388 -.0098 0 -1 1
5.2290 5.2228 .0062 1 1 0
4.9880 4.9988 -.0108 0 2 0
4.6760 4.6830 -.0070 1 0 1
4.4660 4.4657 .0003 1 1 1
4.3090 4.3175 -.0085 -1 0 2
3.8100 3.8149 -.0049 1 2 0
3.7200 3.7184 .0016 0 -1 2
3.5230 3.5206 .0024 -1 -1 2
3.3510 3.3496 .0014 -1 1 3
3.2480 3.2510 -.0030 -1 2 3
A= 6.7179 DA= .0004
B= 10.8142 DB= .0008
C= 10.3005 DC= .0002
GAMMA=100.021 DGAMMA= .003
BETA =108.068 DBETA = .001
ALPHA= 67.8905 DALPHA= .0007
V=657.8
6. 41-1529
C36H30Br2CoP2
Triklin
Dexp Dcal d(D) h k l
11.2800 11.2669 .0131 1 0 0
8.2800 8.2992 -.0192 0 1 0
7.7300 7.7203 .0097 0 0 1
7.3000 7.2832 .0168 -1 -1 1
6.6600 6.6556 .0044 0 -1 1
5.8400 5.8507 -.0107 -1 1 0
4.6200 4.6191 .0009 -1 -2 1
4.2300 4.2379 -.0079 -1 -1 2
3.8500 3.8501 -.0001 2 1 1
3.6900 3.6929 -.0029 -3 0 1
3.5400 3.5447 -.0047 -1 2 0
3.0700 3.0700 .0000 2 2 1
A= 12.5758 DA= .0003
B= 9.4364 DB= .0005
C= 8.5065 DC= .0003
GAMMA= 66.34798 DGAMMA= .00009
BETA =109.061 DBETA = .003
ALPHA=111.902 DALPHA= .00344
V=839.2
7. 41-1530
C36H30Br2CoOP2
Triklin
11.6700 11.6610 .0090 1 0 0
9.7200 9.7092 .0108 1 1 0
8.6800 8.6806 -.0006 -1 0 1
7.4600 7.4580 .0020 -1 -1 1
6.8700 6.8736 -.0036 -1 1 1
5.6200 5.6208 -.0008 0 2 1
5.1700 5.1696 .0004 0 0 2
4.9000 4.8992 .0008 -1 2 1
4.8900 4.8904 -.0004 -2 1 0
4.4000 4.4002 -.0002 1 0 2
3.6500 3.6501 -.0001 -3 -2 1
A= 12.1908 DA= .0002
B= 12.9420 DB= .0003
C= 10.582 DC= .003
GAMMA= 77.901 DGAMMA= .004
BETA =101.06 DBETA = .02
ALPHA= 87.103 DALPHA= .009
V= 1595.0
8. 41-1531
C36H30Br2CoO2P2
Triklin
Dexp Dcal d(D) h k l
8.6000 8.6295 -.0295 0 1 1
6.8900 6.9083 -.0183 1 1 1
6.4500 6.4583 -.0083 0 -1 1
5.5600 5.5658 -.0058 1 -1 1
5.2500 5.2499 .0001 1 1 2
4.9500 4.9471 .0029 0 2 0
4.6700 4.6658 .0042 1 2 1
4.4200 4.4241 -.0041 2 0 0
4.2700 4.2753 -.0053 0 -1 2
4.1500 4.1467 .0033 1 -1 2
3.6200 3.6183 .0017 0 0 3
3.4700 3.4706 -.0006 1 2 3
A= 9.1356 DA= .0009
B= 10.3578 DB= .0003
C= 11.684 DC= .002
GAMMA= 84.89 DGAMMA= .05
BETA = 75.63 DBETA = .03
ALPHA= 72.83 DALPHA= .03
V=1021
9. 41-1532
C36H30Cl2CoP2
Triklin
Dexp Dcal d(D) h k l
11.3000 11.2724 .0276 0 1 1
8.3700 8.3735 -.0035 0 -1 1
7.8600 7.8656 -.0056 1 0 1
7.4100 7.4380 -.0280 1 1 1
6.6400 6.6288 .0112 0 2 1
5.5900 5.5863 .0037 1 2 1
4.6800 4.6749 .0051 1 1 3
4.2500 4.2553 -.0053 0 3 2
4.0500 4.0502 -.0002 0 -1 3
3.9000 3.9003 -.0003 1 3 0
3.7200 3.7190 .0010 2 2 2
3.5600 3.5598 .0002 2 -1 2
A= 8.577 DA= .004
B= 13.540 DB= .003
C= 15.049 DC= .006
GAMMA= 83.72 DGAMMA= .02
BETA = 78.03 DBETA = .02
ALPHA= 72.27 DALPHA= .02
V= 1626 |
10. 41-1533
C36H30CoI2OP2
Triklin
Dexp Dcal d(D) h k l
9.0200 9.0105 .0095 1 0 0
8.4000 8.3985 .0015 0 -1 1
7.9700 7.9811 -.0111 -1 0 1
7.2100 7.1937 .0163 1 0 1
5.9200 5.9216 -.0016 0 -1 2
5.4700 5.4642 .0058 0 1 2
5.1000 5.0967 .0033 1 -1 2
4.8300 4.8128 .0172 -1 -1 2
4.6200 4.6249 -.0049 0 0 3
4.4300 4.4352 -.0052 -2 0 1
4.2000 4.1992 .0008 0 -2 2
4.0300 4.0283 .0017 -1 1 3
A= 9.388 DA= .002
B= 10.274 DB= .003
C= 13.99 DC= .01
GAMMA=104.993 DGAMMA= .009
BETA = 95.42 DBETA = .07
ALPHA= 93.31 DALPHA= .04
V= 1292.8
11. 41-1534
C36H30Cl2CoO2P2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.0700 9.1342 -.0642 0 1 1
8.3600 8.3415 .0185 1 1 1
7.1200 7.1001 .0199 1 0 2
5.5300 5.5263 .0037 2 1 1
5.0700 5.0752 -.0052 2 1 2
4.7500 4.7539 -.0039 -1 2 1
4.4100 4.4105 -.0005 2 2 1
4.2000 4.1938 .0062 2 2 0
3.6500 3.6492 .0008 2 2 3
3.4800 3.4813 -.0013 2 3 1
3.3700 3.3717 -.0017 2 3 0
3.2500 3.2526 -.0026 -3 0 1
a=12.28 b= 12.68 c= 14.5 beta= 65.6
da=.01 db= .01 dc=.1 dbeta=.3
V= 2051
Triklin
Dexp Dcal d(D) h k l
9.0700 9.0805 -.0105 1 0 0
8.3600 8.3927 -.0327 0 1 1
7.1200 7.1157 .0043 0 -1 1
5.5300 5.5406 -.0106 0 1 2
5.0700 5.0605 .0095 1 -1 1
4.7500 4.7462 .0038 2 1 0
4.4100 4.4099 .0001 -1 1 2
4.2000 4.1964 .0036 0 2 2
3.6500 3.6481 .0019 -1 0 3
3.4800 3.4793 .0007 2 -1 1
3.3700 3.3706 -.0006 0 3 1
3.2500 3.2494 .0006 2 3 1
A= 9.596 DA= .007
B= 10.758 DB= .005
C= 12.090 DC= .002
GAMMA= 71.15 DGAMMA= .03
BETA = 87.25 DBETA = .01
ALPHA= 80.08 DALPHA= .01
V= 1163.3
12. 41-1535
C36H30CoI2P2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.9400 8.8128 .1272 0 0 1
7.7600 7.7969 -.0369 1 1 0
6.9400 6.9187 .0213 -1 0 1
6.5200 6.5221 -.0021 1 0 1
5.1500 5.1416 .0084 1 2 0
4.9100 4.9159 -.0059 0 2 1
4.4900 4.4995 -.0095 -1 2 1
4.1600 4.1448 .0152 -1 0 2
3.9100 3.9123 -.0023 -1 1 2
3.6300 3.6260 .0040 -2 2 1
3.3800 3.3779 .0021 1 3 1
3.2600 3.2610 -.0010 2 0 2
2.8500 2.8512 -.0012 0 1 3
2.7200 2.7226 -.0026 -1 4 1
2.5600 2.5612 -.0012 -2 1 3
a= 10.37 b=11.846 c= 8.83 beta= 93.4
da=.04 db=.006 dc=.04 dbeta=.1
V= 1083
Triklin
Dexp Dcal d(D) h k l
8.9400 8.9768 -.0368 0 1 1
7.7600 7.7452 .0148 1 1 0
6.9400 6.9498 -.0098 0 -1 1
6.5200 6.5202 -.0002 0 0 2
5.1500 5.1502 -.0002 1 0 2
4.9100 4.9115 -.0015 1 -1 1
4.4900 4.4902 -.0002 1 2 2
4.1600 4.1587 .0013 -2 -1 1
3.9100 3.9120 -.0020 2 2 1
3.6300 3.6330 -.0030 2 2 2
3.3800 3.3791 .0009 1 3 2
3.2600 3.2601 -.0001 0 0 4
2.8500 2.8503 -.0003 -2 -3 1
2.7200 2.7197 .0003 -1 -3 2
2.5600 2.5599 .0001 3 1 3
A= 9.172 DA= .003
B= 10.523 DB= .002
C= 13.530 DC= .002
GAMMA= 72.36 DGAMMA= .02
BETA = 87.02 DBETA = .01
ALPHA= 74.65 DALPHA= .01
V= 1199.4
13. 41-1536
C36H30CoI2OP2
Triklin
Dexp Dcal d(D) h k l
10.1900 10.1792 .0108 1 0 0
8.5900 8.6090 -.0190 0 1 0
5.5800 5.5740 .0060 0 -1 2
5.0900 5.0896 .0004 2 0 0
4.6800 4.6827 -.0027 0 -2 1
4.4200 4.4224 -.0024 -2 -1 1
4.2700 4.2687 .0013 1 2 0
4.0900 4.0897 .0003 2 0 2
3.7400 3.7413 -.0013 1 -1 3
3.5100 3.5098 .0002 0 0 3
3.4100 3.4100 .0000 -2 1 1
3.3100 3.3096 .0004 -2 -2 2
3.2200 3.2196 .0004 2 -2 2
A= 10.4707 DA= .0002
B= 9.441 DB= .001
C= 11.5660 DC= .0006
GAMMA= 82.81 DGAMMA= .01
BETA = 82.098 DBETA = .004
ALPHA=111.72 DALPHA= .03
V= 1032.7
14. 41-1537
C36H30CoI2O2P2
Triklin
Dexp Dcal d(D) h k l
9.3300 9.3461 -.0161 0 1 1
8.4800 8.4865 -.0065 1 0 0
7.2100 7.1833 .0267 0 -1 1
5.6600 5.6633 -.0033 1 1 1
5.1400 5.1369 .0031 0 1 2
4.8500 4.8551 -.0051 -1 1 2
4.5700 4.5650 .0050 -1 2 2
4.3900 4.3892 .0008 1 -2 1
4.2500 4.2525 -.0025 -2 1 1
3.7100 3.7087 .0013 2 0 1
3.5300 3.5301 -.0001 -2 3 1
3.4100 3.4105 -.0005 2 2 0
A= 8.7322 DA= .0006
B= 14.555 DB= .001
C= 10.518 DC= .005
GAMMA=100.69 DGAMMA= .02
BETA =101.19 DBETA = .04
ALPHA= 72.7083 DALPHA= .0002
V= 1240.4
15. 41-1550
C18H12Br2CoS6
Triklin
Dexp Dcal d(D) h k l
10.1000 10.1420 -.0420 1 0 0
9.1500 9.1506 -.0006 0 1 0
7.6500 7.6504 -.0004 0 0 1
6.9600 6.9796 -.0196 1 0 1
5.6700 5.6616 .0084 -1 1 1
5.2800 5.2805 -.0005 0 -1 1
4.8000 4.7994 .0006 2 0 1
4.4200 4.4200 .0000 0 2 1
4.0000 3.9994 .0006 2 1 1
3.8700 3.8745 -.0045 0 1 2
3.4600 3.4601 -.0001 3 -1 1
3.2100 3.2098 .0002 -1 2 2
A= 10.903 DA= .006
B= 9.826 DB= .003
C= 8.011 DC= .006
GAMMA=106.44 DGAMMA= .03
BETA = 79.59 DBETA = .04
ALPHA= 79.954 DALPHA= .001
V= 786.1 |
|