== Соединения W (томa 19-21) == |
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39. 19-0566 Ho2{WO4}3*3H2O Triklin
Dexp Dcal d(D) h k l 6.0800 6.0792 .0008 1 1 0 4.7800 4.7799 .0001 -1 0 1 4.3400 4.3361 .0039 -1 -2 1 4.2100 4.2067 .0033 1 3 0 4.1200 4.1207 -.0007 1 1 1 4.0000 4.0003 -.0003 -1 2 1 3.8100 3.8008 .0092 0 -4 1 3.7000 3.6991 .0009 1 2 1 3.4800 3.4836 -.0036 -1 3 1 3.3000 3.3051 -.0051 2 0 0 3.1200 3.1160 .0040 -2 2 0 2.8500 2.8489 .0011 -1 1 2
A= 6.6352 DA= .0005 B= 17.084 DB= .001 C= 6.4435 DC= .0002 GAMMA= 91.36 DGAMMA= .01 BETA = 94.524 DBETA = .008 ALPHA= 99.0400 DALPHA= .0006 V=718.7
40. 19-0669 La2{WO4}3 Triklin
Dexp Dcal d(D) h k l 4.5600 4.5576 .0024 0 -1 2 3.8700 3.8721 -.0021 0 2 0 3.6000 3.6049 -.0049 2 2 0 3.5000 3.5012 -.0012 1 2 1 3.3000 3.3014 -.0014 -2 -1 2 3.2500 3.2475 .0025 0 2 1 3.1700 3.1681 .0019 0 -1 3 3.1100 3.1107 -.0007 2 2 1 2.9200 2.9205 -.0005 2 1 2 2.8600 2.8609 -.0009 1 0 3 2.7700 2.7689 .0011 2 3 0 2.6100 2.6101 -.0001 0 2 2
A= 8.4560 DA= .0006 B= 9.04283 DB= .00009 C= 9.6228 DC= .0001 GAMMA= 63.4006 DGAMMA= .0006 BETA = 96.3882 DBETA = .0009 ALPHA=107.776 DALPHA= .001 V=626.2
41. 19-0776 MgWO4 Triklin
Dexp Dcal d(D) h k l 6.4100 6.4161 -.0061 -1 2 0 5.9800 5.9959 -.0159 1 2 0 5.4400 5.4333 .0067 0 1 1 4.7300 4.7090 .0210 1 0 1 4.6800 4.6803 -.0003 -1 -1 1 4.1900 4.1959 -.0059 2 0 0 3.7700 3.7726 -.0026 -1 3 1 3.5900 3.5868 .0032 1 3 1 3.3600 3.3566 .0034 2 3 0 3.2100 3.2081 .0019 -2 4 0 3.0600 3.0592 .0008 2 -3 1 2.9760 2.9740 .0020 -2 -3 1
A= 8.413 DA= .003 B= 18.442 DB= .002 C= 5.804 DC= .003 GAMMA= 93.82 DGAMMA= .05 BETA = 91.30 DBETA = .03 ALPHA= 93.29 DALPHA= .08 V= 896.8
42. 19-1004 K2WO4 Triklin
Dexp Dcal d(D) h k l 6.7500 6.7856 -.0356 0 1 0 5.6800 5.6865 -.0065 1 1 1 5.5500 5.5597 -.0097 1 0 1 5.3400 5.3466 -.0066 -1 0 1 4.7200 4.7204 -.0004 -1 1 1 3.8300 3.8341 -.0041 -2 1 0 3.7100 3.7028 .0072 1 2 1 3.6000 3.5987 .0013 1 -1 1 3.4000 3.3995 .0005 2 2 1 3.1700 3.1672 .0028 0 0 2 3.0900 3.0885 .0015 2 1 2 3.0500 3.0489 .0011 -3 0 1
A= 11.0259 DA= .0002 B= 7.5425 DB= .0005 C= 6.898 DC= .002 GAMMA= 76.12 DGAMMA= .05 BETA = 82.29 DBETA = .02 ALPHA= 66.82 DALPHA= .02 V=511.1
43. 19-1005 K2W3O10 Triklin
Dexp Dcal d(D) h k l 7.5600 7.5569 .0031 0 1 0 7.3100 7.3085 .0015 0 -1 1 4.4800 4.4788 .0012 1 0 2 5.4300 5.4349 -.0049 2 0 0 5.2100 5.1997 .0103 -1 -1 2 5.0900 5.0895 .0005 0 -1 2 5.0300 5.0367 -.0067 1 1 1 4.3700 4.3729 -.0029 -2 -1 2 4.0500 4.0558 -.0058 2 1 1 3.9800 3.9800 .0000 0 -2 1 3.8600 3.8568 .0032 -1 -2 2 3.7500 3.7501 -.0001 0 1 2
A= 11.475 DA= .006 B= 8.3594 DB= .0003 C= 11.163 DC= .002 GAMMA= 72.45 DGAMMA= .01 BETA =102.11 DBETA = .01 ALPHA=111.07 DALPHA= .01 V=947.4
44. 19-1006 K2W4O13 Triklin
Dexp Dcal d(D) h k l 7.7600 7.7657 -.0057 1 0 0 5.4000 5.3825 .0175 0 1 1 4.4800 4.4814 -.0014 0 -1 1 3.8500 3.8519 -.0019 -2 1 0 3.7300 3.7303 -.0003 -1 -1 1 3.4500 3.4445 .0055 -2 1 1 3.2400 3.2455 -.0055 2 1 0 3.2200 3.2202 -.0002 2 0 1 3.0900 3.0840 .0060 2 -1 1 3.0700 3.0692 .0008 1 -2 1 2.9400 2.9396 .0004 -1 1 2 2.6800 2.6786 .0014 0 -1 2
A= 7.984 DA= .004 B= 8.591 DB= .001 C= 6.181 DC= .002 GAMMA=103.30 DGAMMA= .01 BETA = 94.46 DBETA = .03 ALPHA= 78.357 DALPHA= .003 V= 403.9
45. 19-1007 K2W2O7 Triklin
Dexp Dcal d(D) h k l 6.6800 6.6881 -.0081 -1 1 0 5.4700 5.4708 -.0008 -1 1 1 4.5000 4.4996 .0004 -1 -1 1 3.8800 3.8833 -.0033 1 -2 1 3.6200 3.6195 .0005 2 0 0 3.4100 3.4118 -.0018 -2 1 1 3.3500 3.3494 .0006 1 0 2 3.2500 3.2502 -.0002 -2 2 1 3.1500 3.1471 .0029 0 3 2 2.9800 2.9810 -.0010 0 -2 2 2.9200 2.9218 -.0018 2 2 0 2.7400 2.7418 -.0018 1 3 2
A= 7.3434 DA= .0001 B= 12.6384 DB= .0001 C= 7.8984 DC= .0002 GAMMA= 99.4609 DGAMMA= .0005 BETA = 94.065 DBETA = .002 ALPHA= 77.269 DALPHA= .002 V=704.6
46. 19-1118 Sm14W4O33 Monoklin Grupa 4,11
Dexp Dcal d(D) h k l 3.2100 3.2093 .0007 -2 0 1 3.1000 3.0984 .0016 -1 1 1 2.7060 2.7063 -.0003 1 1 1 1.9360 1.9355 .0005 2 0 2 1.8840 1.8823 .0017 -3 1 1 1.6580 1.6583 -.0003 -2 0 4 1.6210 1.6214 -.0004 -4 0 1 1.6060 1.6056 .0004 0 0 4 1.5440 1.5421 .0019 2 0 3 1.3500 1.3499 .0001 1 1 4 1.2910 1.2909 .0001 -3 0 5 1.2220 1.2218 .0002 -3 1 5 1.1950 1.1952 -.0002 4 2 0
a= 6.5090 b= 3.7850 c= 6.7800 beta= 108.685 da=.0006 db=.0007 dc= .0001 dbet=.0002 V= 158.2
47. 19-1119 Sm2W2O9 Triklin
Dexp Dcal d(D) h k l 4.8000 4.8003 -.0003 -1 0 2 3.3100 3.3104 -.0004 -1 -2 1 3.2600 3.2600 .0000 -1 0 3 3.1500 3.1500 .0000 -1 -2 2 3.0600 3.0605 -.0005 1 2 0 2.9480 2.9463 .0017 -2 2 0 2.9020 2.9022 -.0002 -2 -1 3 2.6060 2.6054 .0006 1 2 1 2.4160 2.4171 -.0011 0 -3 2 2.3200 2.3189 .0011 -1 -3 2 1.9970 1.9968 .0002 3 1 1 1.9550 1.9551 -.0001 1 -2 4
A= 8.409 DA= .001 B= 7.595 DB= .002 C= 9.989 DC= .001 GAMMA= 96.04 DGAMMA= .01 BETA =112.012 DBETA = .003 ALPHA=101.70 DALPHA= .01 V-567.5
48. 19-1986 C15H15Cl3N4W Triklin
Dexp Dcal d(D) h k l 9.6000 9.6034 -.0034 1 0 0 8.3000 8.2944 .0056 -1 1 0 7.6000 7.6057 -.0057 -1 0 1 7.3000 7.2872 .0128 0 -1 1 6.1000 6.0994 .0006 0 2 0 5.7000 5.6879 .0121 1 1 1 5.1000 5.0964 .0036 0 0 2 4.8000 4.8017 -.0017 2 0 0 4.3100 4.3088 .0012 -1 2 2 3.9300 3.9271 .0029 -2 1 2 3.5000 3.5030 -.0030 -2 3 1 3.2500 3.2513 -.0013 2 0 2
A= 9.936 DA= .001 B= 12.61885 DB= .00009 C= 10.5048 DC= .0002 GAMMA=101.9161 DGAMMA= .0008 BETA =100.861 DBETA = .005 ALPHA= 79.2056 DALPHA= .0006 V=1250.3
49. 20-0152 Ba3WO6 Rombik Groupa 26,28,51
Dexp. Dcal. d(D) h k l 4.9900 4.9941 -.0041 1 1 0 3.0400 3.0398 .0002 1 0 2 2.5900 2.5884 .0016 1 2 1 2.1700 2.1717 -.0017 4 0 1 2.1500 2.1503 -.0003 4 1 0 1.9790 1.9797 -.0007 0 3 0 1.7630 1.7624 .0006 5 1 0 1.7510 1.7508 .0002 2 3 1
a= 9.2274 b= 5.9391 c= 6.439 da= .0003 db= .0002 dc= .002 v= 352.9
50. 20-0244 Ca3WO6 Triklin
Dexp Dcal d(D) h k l 4.7500 4.7498 .0002 -1 1 0 4.6100 4.6091 .0009 0 -1 2 4.0300 4.0281 .0019 1 -1 2 2.9100 2.9090 .0010 0 -1 4 2.8290 2.8298 -.0008 0 -2 2 2.7760 2.7756 .0004 -1 2 1 2.4520 2.4520 .0000 -1 -1 4 2.4010 2.4014 -.0004 0 -1 5 2.3980 2.3973 .0007 -1 -2 1 2.0080 2.0082 -.0002 2 1 3 1.8860 1.8860 .0000 3 0 1 1.8570 1.8569 .0001 -2 3 0
A= 5.906 DA= .001 B= 6.192 DB= .001 C= 12.488 DC= .001 GAMMA=104.924 DGAMMA= .007 BETA = 86.552 DBETA = .006 ALPHA= 98.690 DALPHA= .004 V= 436.1
51. 20-1313 W2B9 Triklin
Dexp Dcal d(D) h k l 4.4500 4.4499 .0001 0 -1 1 3.6400 3.6402 -.0002 -1 -1 1 3.1500 3.1503 -.0003 0 -3 1 2.5990 2.5992 -.0002 0 -4 1 2.1230 2.1239 -.0009 -2 2 1 2.0080 2.0080 .0000 -1 -3 2 1.9110 1.9108 .0002 -2 3 1 1.8330 1.8337 -.0007 2 5 1 1.7030 1.7032 -.0002 3 4 1 1.6450 1.6453 -.0003 -3 2 1 1.5830 1.5831 -.0001 3 5 1 1.5400 1.5399 .0001 0 -1 3
A= 6.2586 DA= .0007 B= 11.945 DB= .002 C= 4.6227 DC= .0001 GAMMA= 78.994 DGAMMA= .006 BETA = 88.144 DBETA = .002 ALPHA= 96.22 DALPHA= .01 V= 336.7
52. 21-0520 LiNd{WO4}2 Triklin
Dexp Dcal d(D) h k l 6.0000 5.9831 .0169 0 1 1 5.9500 5.9437 .0063 0 -1 1 5.2200 5.2155 .0045 -1 -1 1 5.1400 5.1383 .0017 0 -1 2 5.0200 5.0127 .0073 1 1 1 4.9100 4.9049 .0051 -1 0 2 3.8300 3.8388 -.0088 1 1 3 3.6600 3.6687 -.0087 0 1 4 3.6300 3.6325 -.0025 0 -1 4 3.3600 3.3617 -.0017 -1 1 2 3.2000 3.1996 .0004 -1 -2 2 3.1100 3.1088 .0012 0 -2 1
A= 6.055 DA= .002 B= 6.876 DB= .001 C= 17.949 DC= .009 GAMMA= 66.925 DGAMMA= .005 BETA = 95.021 DBETA = .009 ALPHA= 91.42 DALPHA= .01 V= 684.8
53. 21-0696 K2W2O7 Triklin
Dexp Dcal d(D) h k l 7.8600 7.8527 .0073 0 1 1 7.6500 7.6584 -.0084 0 -1 1 7.4100 7.4171 -.0071 1 0 0 5.1400 5.1447 -.0047 -1 -2 1 4.5200 4.5185 .0015 0 1 2 4.0800 4.0835 -.0035 0 3 1 4.0200 4.0193 .0007 -2 0 1 3.8700 3.8649 .0051 1 -2 1 3.7600 3.7608 -.0008 -2 1 1 3.6300 3.6281 .0019 -2 -1 2 3.4600 3.4584 .0016 1 3 1 3.4300 3.4317 -.0017 -1 0 3
A= 8.069 DA= .001 B= 13.451 DB= .008 C= 10.306 DC= .005 GAMMA= 85.007 DGAMMA= .002 BETA =112.65 DBETA = .01 ALPHA= 90.53 DALPHA= .03 V= 1028.1 |
54. 21-0700 K2W7O22 Triklin
Dexp Dcal d(D) h k l 6.3200 6.3232 -.0032 0 1 0 3.8100 3.8099 .0001 1 -1 1 3.6300 3.6298 .0002 0 -1 2 3.2600 3.2596 .0004 -2 1 1 3.1600 3.1599 .0001 -2 1 0 2.9950 2.9899 .0051 -1 0 3 2.7690 2.7680 .0010 -2 -1 3 2.6340 2.6344 -.0004 1 -2 1 2.4330 2.4350 -.0020 0 1 3 2.3960 2.3956 .0004 0 2 2 2.3070 2.3063 .0007 -3 1 0 2.1100 2.1100 .0000 -3 -2 3
A= 8.494 DA= .001 B= 6.4302 DB= .0009 C= 9.0836 DC= .0002 GAMMA= 81.29 DGAMMA= .01 BETA =113.97 DBETA = .04 ALPHA= 98.82 DALPHA= .03 V= 445.8
55. 21-0703 K2WO4 Triklin
Dexp Dcal d(D) h k l 5.8000 5.7852 .0148 0 1 1 5.6000 5.6101 -.0101 0 -1 1 5.5000 5.5056 -.0056 -1 1 0 5.3000 5.2946 .0054 -1 1 1 4.7900 4.7883 .0017 1 1 0 4.6700 4.6714 -.0014 -1 1 2 3.8800 3.8864 -.0064 2 -1 1 3.7900 3.7859 .0041 1 -1 3 3.6800 3.6776 .0024 -2 1 2 3.4200 3.4187 .0013 2 1 1 3.3600 3.3606 -.0006 -1 1 4 3.2100 3.2113 -.0013 1 -1 4
A= 9.5568 DA= .0002 B= 6.1548 DB= .0003 C= 16.382 DC= .001 GAMMA= 98.806 DGAMMA= .008 BETA = 90.896 DBETA = .005 ALPHA= 87.204 DALPHA= .006 V=951.4
56. 21-0706 K{WO3}Cl Triklin
Dexp Dcal d(D) h k l 6.3200 6.3231 -.0031 1 0 0 3.8100 3.8090 .0010 0 1 1 3.6300 3.6324 -.0024 0 -1 1 3.2600 3.2596 .0004 1 1 1 3.1600 3.1616 -.0016 2 0 0 2.6340 2.6308 .0032 0 2 0 2.4340 2.4353 -.0013 -2 1 1 2.3960 2.3959 .0001 0 1 2 2.3070 2.3067 .0003 0 -1 2 2.0270 2.0262 .0008 2 0 2 1.9100 1.9107 -.0007 2 1 2 1.8230 1.8225 .0005 1 2 2
A= 6.3235 DA= .0001 B= 5.26779 DB= .00007 C= 5.25917 DC= .00009 GAMMA= 90.5030 DGAMMA= .0007 BETA = 89.692 DBETA = .001 ALPHA= 87.291 DALPHA= .001 V=175.0
57. 21-0707 K{WO3}4F Triklin
Dexp Dcal d(D) h k l 6.3200 6.3231 -.0031 1 0 0 3.8100 3.8095 .0005 0 1 1 3.6300 3.6326 -.0026 0 -1 1 3.2600 3.2596 .0004 1 1 1 3.1600 3.1615 -.0015 2 0 0 2.6340 2.6308 .0032 0 2 0 2.4330 2.4311 .0019 1 0 2 2.3960 2.3963 -.0003 0 1 2 2.3070 2.3070 -.0000 0 -1 2 2.1100 2.1077 .0023 3 0 0 2.0270 2.0264 .0006 2 0 2 1.9100 1.9108 -.0008 2 1 2
A= 6.3234 DA= .0009 B= 5.2678 DB= .0004 C= 5.260 DC= .001 GAMMA= 90.513 DGAMMA= .005 BETA = 89.696 DBETA = .001 ALPHA= 87.29 DALPHA= .01 V=175.0
58. 21-1010 K2+xWO4 Triklin
Dexp Dcal d(D) h k l 5.3600 5.3618 -.0018 0 0 1 4.6700 4.6731 -.0031 0 -2 1 4.4300 4.4293 .0007 1 0 1 4.2200 4.2211 -.0011 1 1 1 3.9300 3.9298 .0002 2 1 0 3.4100 3.4091 .0009 -1 4 0 3.1800 3.1795 .0005 -1 -4 1 3.0200 3.0226 -.0026 1 5 0 2.9300 2.9284 .0016 2 4 0 2.6700 2.6669 .0031 -2 -4 1 2.5200 2.5198 .0002 -1 -2 2 2.4300 2.4293 .0007 -1 6 0
A= 7.9647 DA= .0001 B= 15.91415 DB= .00003 C= 5.39390 DC= .00001 GAMMA= 84.8241 DGAMMA= .0002 BETA = 90.9243 DBETA = .0008 ALPHA= 96.2515 DALPHA= .0001 V=676.9
59. 21-1011 K2.66WO4 Triklin
Dexp Dcal d(D) h k l 4.9200 4.9148 .0052 -1 1 1 4.7800 4.7751 .0049 -1 0 1 4.4300 4.4341 -.0041 1 -1 1 4.1300 4.1276 .0024 -2 1 0 3.7600 3.7585 .0015 0 2 0 3.0200 3.0182 .0018 -1 1 2 2.9900 2.9885 .0015 1 2 0 2.8600 2.8594 .0006 1 1 2 2.6300 2.6309 -.0009 -3 2 0 2.5400 2.5404 -.0004 -1 -2 1 2.4800 2.4812 -.0012 -3 2 1 2.4100 2.4098 .0002 1 2 2
A= 8.371 DA= .002 B= 8.1882 DB= .0006 C= 6.5216 DC= .0007 GAMMA=110.845 DGAMMA= .008 BETA = 89.487 DBETA = .001 ALPHA= 80.11 DALPHA= .04 V=410.4
61. 21-1193 Sr3WO6 Monoklin Grupa 14
Dexp Dcal d(D) h k l 4.8000 4.7991 .0009 1 1 0 4.1400 4.1394 .0006 -1 0 2 2.9390 2.9404 -.0014 1 2 0 2.5090 2.5091 -.0001 2 1 1 2.4950 2.4950 .0000 -2 1 3 2.0800 2.0802 -.0002 2 2 1 2.0580 2.0581 -.0001 1 3 0 1.9064 1.9066 -.0002 -1 3 2 1.8952 1.8955 -.0003 -4 1 3 1.8447 1.8446 .0001 0 3 2 1.6978 1.6980 -.0002 3 2 1 1.6891 1.6889 .0002 -4 2 3
a= 8.2680 b= 6.4440 c= 8.2790 beta= 119.5655 da=.0007 db=.0007 dc=.0004 dbet=.0001 V= 383.64
62. 21-1245 WCl4F2 Triklin
Dexp Dcal d(D) h k l 6.0300 6.0301 -.0001 0 1 0 4.2900 4.2919 -.0019 -1 0 1 3.6700 3.6675 .0025 0 -1 2 3.0400 3.0399 .0001 0 1 2 2.8600 2.8599 .0001 2 -1 2 2.7600 2.7606 -.0006 1 -1 3 2.5200 2.5191 .0009 -2 1 1 2.2500 2.2498 .0002 -2 -1 1 2.1100 2.1094 .0006 1 -1 4 2.0500 2.0496 .0004 0 -3 1 1.9800 1.9799 .0001 0 0 4 1.9000 1.9000 .0000 -2 3 0
A= 6.376 DA= .001 B= 6.4828 DB= .0002 C= 8.453 DC= .002 GAMMA=108.24 DGAMMA= .02 BETA = 73.06 DBETA = .01 ALPHA=105.96 DALPHA= .02 V= 310.9
63. 21-1246 WCl5F Triklin
Dexp Dcal d(D) h k l 5.7800 5.7769 .0031 0 1 1 5.2100 5.1996 .0104 0 -1 1 4.6100 4.6201 -.0101 -1 1 0 4.3700 4.3819 -.0119 1 0 1 3.7100 3.7085 .0015 -1 0 2 3.3800 3.3758 .0042 1 -1 2 3.1500 3.1500 -.0000 -1 -1 1 2.9200 2.9201 -.0001 -1 2 2 2.7500 2.7523 -.0023 1 -1 3 2.6900 2.6870 .0030 0 1 4 2.6000 2.5998 .0002 0 -2 2 2.3700 2.3693 .0007 -2 0 1 0
A= 5.1143 DA= .0006 B= 6.691 DB= .001 C= 11.341 DC= .003 GAMMA=109.54 DGAMMA= .01 BETA = 94.24 DBETA = .03 ALPHA= 81.924 DALPHA= .006 V= 361.96
64. 21-1947 C10H24N2O12W4 Triklin
Dexp Dcal d(D) h k l 11.1000 11.0922 .0078 -1 0 1 10.1000 10.1281 -.0281 0 1 1 8.6600 8.6477 .0123 0 -1 1 6.7000 6.6995 .0005 1 -1 1 6.0400 6.0452 -.0052 0 2 0 5.8400 5.8379 .0021 0 -1 2 5.5200 5.5140 .0060 -2 -1 1 5.1500 5.1466 .0034 1 2 1 4.7400 4.7412 -.0012 1 -2 1 4.4000 4.4011 -.0011 -2 1 3 4.2900 4.2898 .0002 -1 -2 2 4.2300 4.2257 .0043 3 0 0
A= 13.1464 DA= .0001 B= 12.2648 DB= .0001 C= 15.2901 DC= .0004 GAMMA= 93.0889 DGAMMA= .0003 BETA =105.3521 DBETA = .0007 ALPHA= 80.34871 DALPHA= .00005 V=2345.8
65. 21-1948 C10H24N2O15W5 Triklin
Dexp Dcal d(D) h k l 11.1000 11.1036 -.0036 0 1 1 9.5900 9.5911 -.0011 0 -1 1 9.3400 9.3586 -.0186 1 1 0 8.5300 8.5225 .0075 0 2 0 8.0700 8.1234 -.0534 1 0 1 7.8900 7.8610 .0290 -1 1 0 7.0500 7.0535 -.0035 -1 -1 1 6.7000 6.6877 .0122 1 -1 1 5.8300 5.8298 .0002 -1 -2 1 5.5900 5.5860 .0040 1 0 2 4.6400 4.6397 .0003 2 2 1 4.5400 4.5415 -.0015 -1 3 0
A= 10.0916 DA= .0005 B= 17.6546 DB= .0002 C= 13.0907 DC= .0003 GAMMA= 77.613 DGAMMA= .002 BETA = 83.525 DBETA = .001 ALPHA= 80.162 DALPHA= .002 V=2237.3
66. 21-1949 C30H72N6O24W2 Triklin
Dexp Dcal d(D) h k l 17.0000 16.9998 .0002 1 0 0 13.0000 12.9937 .0063 0 1 0 11.4000 11.3877 .0123 -1 0 1 10.1000 10.0978 .0022 1 0 1 9.1500 9.1513 -.0013 -1 1 0 8.2600 8.2623 -.0023 2 1 0 7.6500 7.6597 -.0097 -2 0 1 5.8100 5.8108 -.0008 2 -1 1 4.8000 4.8002 -.0002 -1 -1 3 3.8400 3.8399 .0001 2 0 3 3.2700 3.2698 .0002 -5 -3 1 3.2000 3.2001 -.0001 -2 -4 3
A= 18.0992 DA= .0003 B= 14.1336 DB= .0008 C= 14.442 DC= .001 GAMMA= 71.155 DGAMMA= .003 BETA =101.733 DBETA = .006 ALPHA=106.596 DALPHA= .009 V=3326.4
67. 21-1950 C30H72N6O24W7*H2O Triklin
Dexp Dcal d(D) h k l 15.6000 15.6243 -.0243 0 1 1 12.5000 12.6006 -.1006 0 -1 1 12.0000 11.9920 .0080 -1 -1 1 10.4000 10.4033 -.0033 1 1 1 9.9700 9.9705 -.0005 -1 1 0 9.6500 9.6513 -.0013 1 2 0 9.5400 9.5448 -.0048 0 1 2 8.6600 8.6536 .0064 -1 -2 1 8.4500 8.4482 .0018 -1 1 2 8.0700 8.0634 .0066 0 -1 2 7.8900 7.8898 .0002 1 -1 1 7.2500 7.2517 -.0017 -2 0 1
A= 15.100 DA= .002 B= 21.115 DB= .009 C= 20.503 DC= .001 GAMMA= 74.19 DGAMMA= .03 BETA =104.63 DBETA = .02 ALPHA= 82.63 DALPHA= .01 V=5944.5
68. 21-1951 C30H66N6O21W7*3H2O Triklin
Dexp Dcal d(D) h k l 16.0000 16.0657 -.0657 0 1 1 14.5000 14.4668 .0332 1 0 0 12.6000 12.6178 -.0178 0 -1 1 12.2000 12.1992 .0008 1 0 1 10.3000 10.2663 .0337 -1 0 2 9.8000 9.8057 -.0057 1 1 1 9.3400 9.3148 .0252 1 0 2 8.7900 8.7961 -.0061 0 1 3 8.0700 8.0583 .0117 -1 2 1 7.8600 7.8715 -.0115 -1 0 3 7.3700 7.3678 .0022 0 -2 1 6.7800 6.7812 -.0012 0 1 4
A= 14.780 DA= .002 B= 17.457 DB= .001 C= 27.676 DC= .001 GAMMA=100.448 DGAMMA= .005 BETA = 98.23 DBETA = .01 ALPHA= 73.613 DALPHA= .002 V=6704.4
69. 21-1952 C60H40N6P2S6W Triklin
Dexp Dcal d(D) h k l 9.2400 9.2432 -.0032 1 0 0 8.4500 8.4468 .0032 -1 1 1 7.7000 7.7026 -.0026 1 -1 1 7.3500 7.3535 -.0035 -1 2 0 6.9500 6.9521 -.0021 0 1 2 6.7300 6.7279 .0021 -1 2 1 6.1900 6.1918 -.0018 1 1 1 5.8500 5.8457 .0043 1 -1 2 5.4700 5.4733 -.0033 0 2 2 5.1200 5.1203 -.0003 0 -2 3 4.7700 4.7707 -.0007 1 -3 2 4.4400 4.4407 -.0007 0 -3 3
A= 9.717 DA= .004 B= 18.1586 DB= .0006 C= 17.092 DC= .001 GAMMA=103.274 DGAMMA= .003 BETA = 99.81 DBETA = .02 ALPHA= 98.47 DALPHA= .02 V=2836.1 |
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