Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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THORNEITE
1
Pb(6)[Te(2)O(10)][CO(3)]Cl(2).H(2)O
Monoclinic C 2/c Z = 4
R =0.028
25 .11 .10
Ref.Str.:
Kampf A.R., Housley R.M., Marty J. (2010)
* Amer. Mineral., 95, 1548-1553
R: from Otto Mountain, Baker, California
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 21.305 alpha = 90.0
b = 11.059 beta = 101.11
c = 7.564 gamma = 90.0
Unit cell volume (cub. angs.) = 1748.76
Molar volume ( cub.cm/mol.) = 263.34
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6375 0.0963 0.153 0.0 Pb = 1.00
2 0.6952 0.413 0.9692 0.0 Pb = 1.00
3 0.5526 0.2437 0.5225 0.0 Pb = 1.00
4 0.7884 0.3001 0.3627 0.0 Te = 1.00
5 0.5 0.9822 0.25 0.0 C = 1.00
6 0.5884 0.3933 0.1682 0.0 Cl = 0.75, OH = 0.25
7 0.5 0.099 0.25 0.0 O = 1.00
8 0.5487 0.9265 0.2183 0.0 O = 1.00
9 0.7815 0.4526 0.2479 0.0 O = 1.00
10 0.6451 0.2717 0.7367 0.0 O = 1.00
11 0.7269 0.2338 0.1654 0.0 O = 1.00
12 0.6435 0.1381 0.4534 0.0 O = 1.00
13 0.7201 0.346 0.4937 0.0 O = 1.00
14 0.5 0.391 0.75 0.0 H(2)O = 1.00
15 0.525 0.442 0.829 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6375 0.0963 0.153
2 2 0.6952 0.413 0.9692
3 3 0.5526 0.2437 0.5225
4 4 0.7884 0.3001 0.3627
5 5 0.5 0.9822 0.25
6 6 0.5884 0.3933 0.1682
7 7 0.5 0.099 0.25
8 8 0.5487 0.9265 0.2183
9 9 0.7815 0.4526 0.2479
10 10 0.6451 0.2717 0.7367
11 11 0.7269 0.2338 0.1654
12 12 0.6435 0.1381 0.4534
13 13 0.7201 0.346 0.4937
14 14 0.5 0.391 0.75
15 15 0.525 0.442 0.829
16 1 0.3625 0.9036 0.847
17 2 0.3048 0.587 0.0308
18 3 0.4474 0.7563 0.4775
19 4 0.2116 0.6999 0.6373
20 5 0.5 0.0178 0.75
21 6 0.4116 0.6067 0.8318
22 7 0.5 0.901 0.75
23 8 0.4513 0.0735 0.7817
24 9 0.2185 0.5474 0.7521
25 10 0.3549 0.7283 0.2633
26 11 0.2731 0.7662 0.8346
27 12 0.3565 0.8619 0.5466
28 13 0.2799 0.654 0.5063
29 14 0.5 0.609 0.25
30 15 0.475 0.558 0.171
31 1 0.6375 0.9036 0.653
32 2 0.6952 0.587 0.4692
33 3 0.5526 0.7563 0.0225
34 4 0.7884 0.6999 0.8627
35 6 0.5884 0.6067 0.6682
36 8 0.5487 0.0735 0.7183
37 9 0.7815 0.5474 0.7479
38 10 0.6451 0.7283 0.2367
39 11 0.7269 0.7662 0.6654
40 12 0.6435 0.8619 0.9534
41 13 0.7201 0.654 0.9937
42 15 0.525 0.558 0.329
43 1 0.3625 0.0964 0.347
44 2 0.3048 0.413 0.5308
45 3 0.4474 0.2437 0.9775
46 4 0.2116 0.3001 0.1373
47 6 0.4116 0.3933 0.3318
48 8 0.4513 0.9265 0.2817
49 9 0.2185 0.4526 0.2521
50 10 0.3549 0.2717 0.7633
51 11 0.2731 0.2338 0.3346
52 12 0.3565 0.1381 0.0466
53 13 0.2799 0.346 0.0063
54 15 0.475 0.442 0.671
55 1 0.1375 0.4036 0.653
56 2 0.1952 0.087 0.4692
57 3 0.0526 0.2563 0.0225
58 4 0.2884 0.1999 0.8627
59 5 0.0 0.5178 0.75
60 6 0.0884 0.1067 0.6682
61 7 0.0 0.401 0.75
62 8 0.0487 0.5735 0.7183
63 9 0.2815 0.0474 0.7479
64 10 0.1451 0.2283 0.2367
65 11 0.2269 0.2662 0.6654
66 12 0.1435 0.3619 0.9534
67 13 0.2201 0.154 0.9937
68 14 0.0 0.109 0.25
69 15 0.025 0.058 0.329
70 1 0.8625 0.5964 0.347
71 2 0.8048 0.913 0.5308
72 3 0.9474 0.7437 0.9775
73 4 0.7116 0.8001 0.1373
74 5 0.0 0.4822 0.25
75 6 0.9116 0.8933 0.3318
76 7 0.0 0.599 0.25
77 8 0.9513 0.4265 0.2817
78 9 0.7185 0.9526 0.2521
79 10 0.8549 0.7717 0.7633
80 11 0.7731 0.7338 0.3346
81 12 0.8565 0.6381 0.0466
82 13 0.7799 0.846 0.0063
83 14 0.0 0.891 0.75
84 15 0.975 0.942 0.671
85 1 0.1375 0.5964 0.153
86 2 0.1952 0.913 0.9692
87 3 0.0526 0.7437 0.5225
88 4 0.2884 0.8001 0.3627
89 6 0.0884 0.8933 0.1682
90 8 0.0487 0.4265 0.2183
91 9 0.2815 0.9526 0.2479
92 10 0.1451 0.7717 0.7367
93 11 0.2269 0.7338 0.1654
94 12 0.1435 0.6381 0.4534
95 13 0.2201 0.846 0.4937
96 15 0.025 0.942 0.829
97 1 0.8625 0.4036 0.847
98 2 0.8048 0.087 0.0308
99 3 0.9474 0.2563 0.4775
100 4 0.7116 0.1999 0.6373
101 6 0.9116 0.1067 0.8318
102 8 0.9513 0.5735 0.7817
103 9 0.7185 0.0474 0.7521
104 10 0.8549 0.2283 0.2633
105 11 0.7731 0.2662 0.8346
106 12 0.8565 0.3619 0.5466
107 13 0.7799 0.154 0.5063
108 15 0.975 0.058 0.171
X-ray density (g/cm cub.) = 6.83
MU (1/cm) = 2019.679 Mass attenuation coefficient (cm**2/g) = 295.491
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.684 8
3.4554 6
3.1548 7
2.7774 8
2.424 11
2.2978 12
3.4727 8
3.0154 12
2.3593 9
2 Pb 3.684 8
2.9672 6
2.5545 9
2.4388 10
2.4896 11
3.5988 6
3.0959 9
2.7175 13
2.661 11
3 Pb 3.684 7
3.36 6
2.6787 7
2.3175 10
2.4029 12
2.7598 14
2.406 8
3.4897 6
4 Te 3.24 6
1.8897 9
1.931 11
1.9784 13
1.9007 10
1.9308 12
1.9746 13
5 C 2.412 3
1.2917 7
1.2686 8
1.2686 8
6 Cl ,OH 4.344 10
3.8694 7
4.0942 9
3.9294 10
3.4413 11
3.6084 12
3.3979 13
3.3552 14
3.1732 14
3.9002 10
4.1852 6
7 O 3.804 6
2.2066 8
3.1761 12
3.5052 8
3.5052 8
2.2066 8
3.1761 12
8 O 3.804 8
2.2066 7
3.3665 12
3.5052 7
3.6822 14
2.9886 10
3.1882 12
2.218 8
3.5888 9
9 O 3.804 9
2.7051 11
2.7377 13
3.0659 13
3.5888 8
3.1903 11
3.1651 12
2.9226 10
3.7201 11
2.6968 12
10 O 3.804 7
3.3985 11
2.5977 12
2.7819 13
3.3804 14
2.9886 8
2.9226 9
2.6852 11
11 O 3.804 10
3.4413 6
2.7051 9
3.3985 10
3.2427 12
2.8046 13
3.1903 9
3.7201 9
2.6852 10
2.8823 11
2.7533 13
12 O 3.804 10
3.6084 6
3.1761 7
3.3665 8
2.5977 10
3.2427 11
2.8019 13
3.1882 8
3.1651 9
2.6968 9
2.8614 13
13 O 3.804 9
3.3979 6
2.7377 9
2.7819 10
2.8046 11
2.8019 12
3.0659 9
2.7533 11
2.8614 12
2.4686 13
14 H(2)O 3.972 8
3.3552 6
3.3804 10
3.1732 6
3.6822 8
3.1732 6
3.6822 8
3.3552 6
3.3804 10
15 H 2.172 1
0.9144 14
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 2 0 0 4.909 9.818 0.048 270.15 2 462.2 3774.1
2 1 1 0 5.25 10.5 0.051 235.91 4 232.5 1668.6
3 1 1 -1 8.314 16.628 0.081 92.72 4 33.6 13.7
4 3 1 0 8.726 17.453 0.085 83.96 4 33.2 12.1
5 1 1 1 9.076 18.152 0.088 77.45 4 5.9 0.3
6 0 2 0 9.309 18.618 0.09 73.51 2 426.8 875.7
7 4 0 0 9.854 19.709 0.096 65.36 2 31.3 4.2
8 3 1 -1 10.236 20.472 0.099 60.42 4 314.9 783.5
9 2 2 0 10.545 21.089 0.102 56.81 4 342.4 871.1
10 0 2 1 11.637 23.275 0.113 46.27 4 328.9 654.6
11 3 1 1 12.039 24.077 0.117 43.1 4 421.0 999.0
12 2 2 -1 12.114 24.227 0.117 42.54 4 173.6 167.7
13 2 2 1 13.18 26.36 0.127 35.62 4 205.0 195.7
14 5 1 0 13.221 26.442 0.128 35.38 4 487.3 1098.8
15 4 2 0 13.621 27.241 0.132 33.22 4 405.3 713.9
16 5 1 -1 13.799 27.599 0.133 32.31 4 417.5 736.9
17 2 0 -2 13.87 27.74 0.134 31.97 2 758.0 1201.0
18 0 0 2 13.947 27.894 0.135 31.59 2 657.1 892.1
19 1 3 0 14.264 28.527 0.138 30.12 4 156.1 96.0
20 4 2 -1 14.422 28.844 0.139 29.42 4 884.4 3009.4
21 1 1 -2 14.476 28.953 0.14 29.18 4 333.0 423.2
22 6 0 0 14.875 29.75 0.144 27.53 2 229.6 94.9
23 3 1 -2 15.25 30.5 0.147 26.1 4 538.9 991.7
24 1 1 2 15.391 30.782 0.148 25.59 4 863.8 2497.7
25 4 0 -2 15.507 31.015 0.149 25.18 2 316.2 164.6
26 1 3 -1 15.702 31.404 0.151 24.51 4 668.3 1432.1
27 2 0 2 15.715 31.431 0.151 24.47 2 742.8 883.0
28 3 3 0 15.932 31.865 0.153 23.76 4 242.9 183.4
29 5 1 1 16.085 32.171 0.155 23.27 4 1260.9 4839.5
30 1 3 1 16.134 32.267 0.155 23.12 4 1479.3 6617.5
31 4 2 1 16.21 32.42 0.156 22.89 4 44.4 5.9
32 2 2 -2 16.81 33.619 0.162 21.15 4 792.9 1739.6
33 3 3 -1 16.838 33.677 0.162 21.07 4 723.1 1441.2
34 0 2 2 16.874 33.749 0.162 20.98 4 400.4 439.9
35 5 1 -2 17.51 35.02 0.168 19.35 4 901.4 2056.5
36 6 2 0 17.664 35.327 0.17 18.99 4 472.0 553.3
37 3 1 2 17.759 35.518 0.171 18.76 4 517.5 657.3
38 6 2 -1 17.919 35.839 0.172 18.4 4 1230.4 3642.8
39 3 3 1 18.034 36.067 0.173 18.14 4 97.8 22.7
40 7 1 0 18.073 36.146 0.173 18.06 4 706.8 1179.8
41 7 1 -1 18.132 36.265 0.174 17.93 4 806.9 1526.6
42 4 2 -2 18.209 36.419 0.175 17.76 4 72.6 12.2
43 2 2 2 18.39 36.78 0.176 17.38 4 585.7 779.7
44 6 0 -2 18.449 36.898 0.177 17.26 2 194.9 42.9
45 4 0 2 18.746 37.492 0.18 16.66 2 342.2 127.6
46 5 3 0 18.874 37.747 0.181 16.41 4 121.1 31.5
47 0 4 0 18.876 37.752 0.181 16.41 2 186.1 37.2
48 5 3 -1 19.299 38.598 0.185 15.63 4 507.3 526.0
49 2 4 0 19.551 39.102 0.187 15.18 4 570.8 646.9
50 1 3 -2 19.807 39.614 0.189 14.75 4 435.8 366.5
51 8 0 0 20.016 40.032 0.191 14.41 2 602.3 341.9
52 6 2 1 20.137 40.274 0.192 14.22 4 383.7 273.7
53 0 4 1 20.196 40.393 0.193 14.13 4 506.3 473.5
54 3 3 -2 20.401 40.803 0.195 13.81 4 67.7 8.3
55 2 4 -1 20.491 40.981 0.196 13.68 4 339.4 206.1
56 1 3 2 20.511 41.022 0.196 13.65 4 281.3 141.3
57 7 1 1 20.677 41.354 0.197 13.4 4 217.2 82.7
58 6 2 -2 20.818 41.636 0.199 13.2 4 364.4 229.3
59 7 1 -2 20.835 41.67 0.199 13.18 4 323.9 180.8
60 5 3 1 21.058 42.115 0.201 12.87 4 48.0 3.9
61 4 2 2 21.087 42.175 0.201 12.83 4 228.3 87.4
62 5 1 2 21.158 42.315 0.202 12.73 4 137.6 31.5
63 2 4 1 21.176 42.352 0.202 12.71 4 237.2 93.5
64 1 1 -3 21.398 42.797 0.204 12.41 4 172.6 48.4
65 4 4 0 21.469 42.938 0.205 12.32 4 567.0 518.0
66 3 1 -3 21.627 43.254 0.206 12.12 4 871.1 1202.9
67 4 4 -1 22.016 44.033 0.21 11.64 4 401.0 244.9
68 8 2 -1 22.133 44.266 0.211 11.51 4 7.5 0.1
69 5 3 -2 22.208 44.415 0.211 11.42 4 72.8 7.9
70 8 2 0 22.246 44.492 0.212 11.37 4 452.5 304.6
71 8 0 -2 22.256 44.513 0.212 11.36 2 1042.5 807.6
72 1 1 3 22.386 44.772 0.213 11.21 4 211.9 65.9
73 3 3 2 22.412 44.825 0.213 11.18 4 294.2 126.6
74 6 0 2 22.613 45.226 0.215 10.96 2 89.5 5.7
75 7 3 0 22.672 45.344 0.215 10.9 4 62.2 5.5
76 7 3 -1 22.721 45.442 0.216 10.84 4 345.0 168.9
77 9 1 -1 22.903 45.806 0.218 10.65 4 86.3 10.4
78 2 2 -3 22.968 45.936 0.218 10.58 4 441.7 270.0
79 5 1 -3 23.042 46.085 0.219 10.51 4 98.6 13.4
80 9 1 0 23.171 46.342 0.22 10.37 4 52.5 3.7
81 4 4 1 23.298 46.596 0.221 10.25 4 157.3 33.2
82 0 2 3 23.333 46.666 0.221 10.21 4 307.5 126.3
83 2 4 -2 23.744 47.489 0.225 9.81 4 560.2 402.8
84 4 2 -3 23.759 47.517 0.225 9.8 4 614.0 483.3
85 0 4 2 23.793 47.586 0.226 9.77 4 284.8 103.6
86 1 5 0 23.995 47.99 0.227 9.58 4 23.3 0.7
87 8 2 -2 24.321 48.642 0.23 9.29 4 519.5 328.1
88 6 4 0 24.393 48.787 0.231 9.23 4 526.2 334.3
89 3 1 3 24.473 48.946 0.232 9.16 4 858.2 882.8
90 6 4 -1 24.591 49.181 0.233 9.06 4 529.0 331.7
91 8 2 1 24.635 49.269 0.233 9.03 4 792.1 740.8
92 6 2 2 24.655 49.309 0.233 9.01 4 946.6 1056.2
93 2 2 3 24.814 49.627 0.235 8.88 4 800.4 744.2
94 4 4 -2 24.816 49.631 0.235 8.88 4 70.6 5.8
95 7 3 1 24.88 49.761 0.235 8.83 4 1069.3 1319.9
96 9 1 -2 24.89 49.78 0.235 8.82 4 124.2 17.8
97 1 5 -1 24.948 49.896 0.236 8.77 4 255.4 74.9
98 2 4 2 24.957 49.914 0.236 8.76 4 913.4 956.5
99 7 3 -2 25.018 50.035 0.236 8.72 4 71.6 5.8
100 3 5 0 25.105 50.211 0.237 8.65 4 104.2 12.3
101 1 5 1 25.244 50.488 0.238 8.54 4 8.4 0.1
102 7 1 2 25.265 50.529 0.239 8.52 4 111.3 13.8
103 5 3 2 25.298 50.596 0.239 8.5 4 92.5 9.5
104 10 0 0 25.332 50.663 0.239 8.47 2 141.1 11.0
105 7 1 -3 25.491 50.981 0.241 8.35 4 536.4 314.3
106 1 3 -3 25.508 51.016 0.241 8.34 4 219.6 52.6
107 6 2 -3 25.622 51.245 0.242 8.25 4 93.7 9.5
108 9 1 1 25.639 51.278 0.242 8.24 4 156.1 26.3
109 3 3 -3 25.708 51.416 0.242 8.19 4 267.7 76.8
110 3 5 -1 25.738 51.476 0.243 8.17 4 544.3 316.6
111 6 4 1 26.351 52.702 0.248 7.74 4 126.5 16.2
112 1 3 3 26.377 52.753 0.248 7.73 4 260.7 68.7
113 3 5 1 26.601 53.202 0.25 7.58 4 577.8 331.0
114 10 0 -2 26.665 53.331 0.251 7.54 2 586.0 169.3
115 9 3 -1 26.836 53.671 0.252 7.43 4 299.8 87.4
116 10 2 -1 26.842 53.683 0.252 7.43 4 616.2 368.7
117 6 4 -2 26.908 53.816 0.253 7.38 4 369.7 132.0
118 5 3 -3 26.96 53.919 0.253 7.35 4 1067.0 1094.8
119 8 0 2 27.067 54.134 0.254 7.29 2 1090.8 566.9
120 9 3 0 27.074 54.148 0.254 7.28 4 84.1 6.7
121 4 4 2 27.13 54.26 0.255 7.25 4 41.5 1.6
122 10 2 0 27.22 54.441 0.256 7.19 4 488.3 224.3
123 5 5 0 27.226 54.452 0.256 7.19 4 908.2 775.7
124 4 2 3 27.276 54.551 0.256 7.16 4 269.0 67.8
125 5 1 3 27.473 54.946 0.258 7.04 4 491.5 222.5
126 5 5 -1 27.548 55.095 0.259 7.0 4 516.9 244.6
127 1 5 -2 27.937 55.874 0.262 6.78 4 145.1 18.7
128 8 4 -1 28.003 56.006 0.262 6.74 4 85.2 6.4
129 11 1 -1 28.021 56.042 0.263 6.73 4 325.5 93.3
130 8 4 0 28.098 56.196 0.263 6.69 4 507.1 225.1
131 2 0 -4 28.233 56.467 0.264 6.62 2 188.6 15.4
132 3 3 3 28.244 56.488 0.265 6.61 4 159.0 21.9
133 3 5 -2 28.398 56.795 0.266 6.53 4 758.1 491.1
134 8 2 -3 28.408 56.816 0.266 6.53 4 264.9 59.9
135 1 5 2 28.484 56.967 0.267 6.49 4 515.6 225.6
136 10 2 -2 28.493 56.985 0.267 6.48 4 681.1 393.4
137 11 1 0 28.525 57.05 0.267 6.47 4 852.9 615.4
138 9 3 -2 28.622 57.245 0.268 6.42 4 136.1 15.5
139 4 0 -4 28.649 57.297 0.268 6.4 2 1217.4 620.8
140 2 4 -3 28.711 57.421 0.269 6.37 4 243.4 49.4
141 3 1 -4 28.763 57.525 0.269 6.35 4 374.1 116.2
142 9 1 -3 28.785 57.57 0.269 6.34 4 759.2 477.7
143 0 0 4 28.819 57.638 0.269 6.32 2 260.6 28.1
144 1 1 -4 28.848 57.696 0.27 6.3 4 196.5 31.9
145 8 2 2 28.877 57.753 0.27 6.29 4 121.8 12.2
146 5 5 1 28.914 57.828 0.27 6.27 4 606.9 302.2
147 7 3 2 28.963 57.926 0.271 6.25 4 0.5 0.0
148 0 4 3 29.023 58.045 0.271 6.22 4 559.0 254.2
149 0 6 0 29.031 58.062 0.271 6.22 2 1468.5 876.5
150 7 3 -3 29.169 58.338 0.272 6.15 4 772.8 480.4
151 9 3 1 29.305 58.609 0.274 6.09 4 204.2 33.2
152 4 4 -3 29.388 58.777 0.274 6.05 4 691.6 378.3
153 11 1 -2 29.496 58.991 0.275 6.0 4 152.5 18.2
154 2 6 0 29.523 59.046 0.275 5.98 4 70.4 3.9
155 10 2 1 29.576 59.153 0.276 5.96 4 0.8 0.0
156 5 1 -4 29.663 59.326 0.277 5.92 4 52.5 2.1
157 5 5 -2 29.836 59.672 0.278 5.84 4 936.2 670.0
158 8 4 -2 29.875 59.751 0.278 5.83 4 325.1 80.6
159 9 1 2 29.913 59.826 0.279 5.81 4 310.0 73.1
160 1 1 4 29.913 59.827 0.279 5.81 4 315.9 75.8
161 2 2 -4 29.997 59.994 0.279 5.77 4 986.8 735.5
162 0 6 1 30.002 60.003 0.28 5.77 4 435.0 142.9
163 3 5 2 30.002 60.005 0.28 5.77 4 114.4 9.9
164 6 0 -4 30.038 60.076 0.28 5.76 2 82.1 2.5
165 8 4 1 30.149 60.297 0.281 5.71 4 267.3 53.4
166 6 4 2 30.166 60.332 0.281 5.7 4 928.1 642.4
167 7 5 0 30.214 60.428 0.281 5.68 4 1234.1 1131.9
168 2 6 -1 30.223 60.445 0.281 5.68 4 407.8 123.5
169 7 5 -1 30.254 60.509 0.282 5.67 4 352.9 92.3
170 2 4 3 30.305 60.61 0.282 5.64 4 874.9 565.2
171 2 0 4 30.369 60.737 0.283 5.62 2 900.6 298.0
172 4 2 -4 30.397 60.794 0.283 5.61 4 92.9 6.3
173 0 2 4 30.562 61.123 0.284 5.54 4 139.7 14.1
174 6 2 3 30.563 61.125 0.284 5.54 4 390.5 110.5
175 2 6 1 30.744 61.487 0.286 5.47 4 9.3 0.1
176 12 0 0 30.892 61.785 0.287 5.41 2 1175.1 488.5
177 11 1 1 30.946 61.892 0.287 5.39 4 209.9 31.1
178 4 6 0 30.969 61.939 0.288 5.38 4 256.1 46.1
179 5 3 3 30.993 61.986 0.288 5.37 4 582.6 238.4
180 6 4 -3 31.015 62.031 0.288 5.36 4 277.7 54.1
181 7 1 3 31.222 62.443 0.29 5.28 4 464.0 148.8
182 4 6 -1 31.394 62.789 0.291 5.22 4 43.1 1.3
183 7 1 -4 31.497 62.994 0.292 5.18 4 184.2 23.0
184 11 3 -1 31.502 63.005 0.292 5.18 4 705.9 337.6
185 12 0 -2 31.564 63.128 0.293 5.16 2 1187.0 475.3
186 6 2 -4 31.74 63.479 0.294 5.1 4 68.2 3.1
187 3 1 4 31.899 63.799 0.295 5.04 4 844.9 470.7
188 10 2 -3 31.968 63.936 0.296 5.02 4 167.8 18.5
189 11 3 0 31.972 63.945 0.296 5.02 4 316.2 65.6
190 12 2 -1 31.977 63.953 0.296 5.01 4 400.6 105.2
191 10 0 2 32.006 64.011 0.296 5.0 2 510.8 85.4
192 7 5 1 32.055 64.11 0.297 4.99 4 116.6 8.9
193 2 2 4 32.06 64.12 0.297 4.99 4 290.2 54.9
194 10 4 -1 32.1 64.199 0.297 4.97 4 279.4 50.8
195 7 5 -2 32.172 64.343 0.298 4.95 4 125.5 10.2
196 3 3 -4 32.194 64.389 0.298 4.94 4 340.7 75.0
197 9 3 -3 32.215 64.431 0.298 4.93 4 548.2 194.0
198 1 3 -4 32.274 64.548 0.298 4.91 4 193.5 24.1
199 8 0 -4 32.325 64.65 0.299 4.9 2 662.1 140.4
200 4 6 1 32.41 64.819 0.3 4.87 4 5.6 0.0
201 5 5 2 32.41 64.821 0.3 4.87 4 285.4 51.9
202 10 4 0 32.439 64.878 0.3 4.86 4 482.9 148.2
203 4 4 3 32.489 64.978 0.3 4.84 4 799.9 405.4
204 12 2 0 32.569 65.137 0.301 4.82 4 344.0 74.6
205 1 5 -3 32.59 65.18 0.301 4.81 4 190.8 22.9
206 3 5 -3 32.762 65.523 0.302 4.76 4 411.3 105.3
207 2 6 -2 32.77 65.539 0.303 4.76 4 415.1 107.2
208 11 1 -3 32.782 65.565 0.303 4.75 4 580.2 209.2
209 4 0 4 32.801 65.601 0.303 4.75 2 302.6 28.4
210 0 6 2 32.809 65.618 0.303 4.74 4 626.5 243.5
211 11 3 -2 32.882 65.763 0.303 4.72 4 205.5 26.1
212 5 3 -4 33.039 66.079 0.305 4.67 4 165.9 16.8
213 12 2 -2 33.221 66.443 0.306 4.62 4 199.7 24.1
214 9 3 2 33.275 66.55 0.307 4.6 4 81.7 4.0
215 1 3 4 33.275 66.55 0.307 4.6 4 11.0 0.1
216 6 6 0 33.299 66.597 0.307 4.6 4 212.9 27.2
217 1 5 3 33.338 66.677 0.307 4.58 4 186.9 20.9
218 6 6 -1 33.461 66.921 0.308 4.55 4 23.9 0.3
219 13 1 -1 33.498 66.996 0.309 4.54 4 300.4 53.6
220 8 4 -3 33.512 67.025 0.309 4.53 4 439.1 114.4
221 10 4 -2 33.589 67.179 0.309 4.51 4 908.1 486.7
222 4 6 -2 33.646 67.292 0.31 4.5 4 602.1 213.2
223 10 2 2 33.651 67.303 0.31 4.49 4 707.2 294.0
224 9 5 -1 33.738 67.475 0.31 4.47 4 292.9 50.1
225 2 6 2 33.763 67.526 0.311 4.46 4 349.1 71.2
226 5 5 -3 33.846 67.691 0.311 4.44 4 352.0 72.0
227 8 4 2 33.94 67.879 0.312 4.42 4 132.3 10.1
228 9 5 0 33.946 67.892 0.312 4.41 4 187.7 20.3
229 8 2 -4 33.963 67.926 0.312 4.41 4 178.2 18.3
230 9 1 -4 34.182 68.363 0.314 4.35 4 712.8 289.1
231 13 1 0 34.199 68.397 0.314 4.35 4 471.2 126.2
232 11 3 1 34.251 68.502 0.315 4.33 4 240.6 32.8
233 4 2 4 34.427 68.854 0.316 4.29 4 419.6 98.7
234 7 3 3 34.512 69.025 0.317 4.26 4 771.7 332.2
235 8 2 3 34.556 69.112 0.317 4.25 4 475.9 126.0
236 10 4 1 34.58 69.161 0.317 4.25 4 392.7 85.7
237 13 1 -2 34.593 69.186 0.317 4.24 4 183.1 18.6
238 1 7 0 34.596 69.191 0.317 4.24 4 200.6 22.3
239 5 1 4 34.721 69.442 0.318 4.21 4 463.3 118.3
240 7 3 -4 34.774 69.549 0.319 4.2 4 183.9 18.6
241 6 6 1 34.931 69.861 0.32 4.16 4 248.9 33.7
242 12 2 1 34.949 69.897 0.32 4.16 4 642.8 224.7
243 2 4 -4 34.968 69.935 0.32 4.15 4 1071.5 623.6
244 3 5 3 34.977 69.954 0.32 4.15 4 471.3 120.6
245 11 1 2 35.053 70.106 0.321 4.13 4 221.3 26.5
246 3 3 4 35.157 70.314 0.322 4.11 4 232.0 28.9
247 9 5 -2 35.313 70.627 0.323 4.07 4 627.5 209.7
248 4 4 -4 35.337 70.674 0.323 4.07 4 262.9 36.7
249 1 7 -1 35.36 70.72 0.323 4.06 4 233.4 28.9
250 6 6 -2 35.405 70.81 0.324 4.05 4 490.4 127.4
251 10 0 -4 35.422 70.844 0.324 4.05 2 253.0 16.9
252 3 7 0 35.488 70.976 0.325 4.03 4 90.2 4.3
253 0 4 4 35.489 70.978 0.325 4.03 4 384.7 78.0
254 6 4 3 35.49 70.98 0.325 4.03 4 95.9 4.8
255 4 6 2 35.595 71.19 0.325 4.01 4 55.4 1.6
256 1 7 1 35.601 71.202 0.325 4.01 4 681.5 243.4
257 7 5 2 35.618 71.235 0.326 4.0 4 86.3 3.9
258 9 1 3 35.62 71.239 0.326 4.0 4 574.5 172.7
259 7 5 -3 35.802 71.605 0.327 3.96 4 354.3 65.1
260 9 5 1 35.924 71.848 0.328 3.94 4 116.0 6.9
261 11 3 -3 36.001 72.001 0.329 3.92 4 552.7 156.6
262 3 7 -1 36.005 72.011 0.329 3.92 4 107.3 5.9
263 6 0 4 36.029 72.058 0.329 3.91 2 188.2 9.1
264 12 2 -3 36.207 72.414 0.33 3.88 4 221.6 24.9
265 8 6 -1 36.348 72.697 0.331 3.85 4 76.7 3.0
266 8 6 0 36.431 72.862 0.332 3.83 4 481.1 116.0
267 6 4 -4 36.585 73.171 0.333 3.8 4 0.4 0.0
268 13 1 1 36.647 73.295 0.334 3.79 4 597.0 176.5
269 3 1 -5 36.648 73.295 0.334 3.79 4 512.8 130.3
270 13 3 -1 36.687 73.374 0.334 3.78 4 1034.8 529.4
271 3 7 1 36.721 73.442 0.334 3.77 4 848.2 355.0
272 14 0 0 36.798 73.597 0.335 3.76 2 751.5 138.8
273 10 4 -3 36.799 73.598 0.335 3.76 4 483.7 115.0
274 12 4 -1 36.807 73.614 0.335 3.76 4 192.4 18.2
275 2 4 4 36.885 73.771 0.336 3.74 4 49.3 1.2
276 14 0 -2 36.944 73.888 0.336 3.73 2 471.0 54.1
277 1 1 -5 36.96 73.92 0.336 3.73 4 638.0 198.4
278 2 6 -3 36.966 73.931 0.336 3.73 4 115.3 6.5
279 10 2 -4 36.995 73.99 0.336 3.72 4 915.2 407.7
280 5 1 -5 37.209 74.419 0.338 3.68 4 518.1 129.2
281 0 6 3 37.24 74.479 0.338 3.68 4 252.5 30.7
282 5 7 0 37.246 74.491 0.338 3.67 4 192.2 17.8
283 9 3 -4 37.345 74.689 0.339 3.66 4 375.2 67.3
284 13 3 0 37.361 74.722 0.339 3.65 4 2.3 0.0
285 12 4 0 37.363 74.725 0.339 3.65 4 95.7 4.4
286 13 1 -3 37.412 74.825 0.34 3.64 4 116.3 6.4
287 12 0 2 37.429 74.859 0.34 3.64 2 219.9 11.5
288 5 5 3 37.455 74.909 0.34 3.64 4 471.7 105.8
289 5 7 -1 37.518 75.036 0.34 3.63 4 566.2 152.0
290 4 6 -3 37.563 75.125 0.341 3.62 4 459.8 100.0
291 14 2 -1 37.564 75.128 0.341 3.62 4 117.1 6.5
292 6 2 4 37.592 75.183 0.341 3.61 4 333.9 52.7
293 11 1 -4 37.641 75.282 0.341 3.6 4 367.6 63.7
294 13 3 -2 37.742 75.483 0.342 3.59 4 325.0 49.6
295 1 7 -2 37.849 75.699 0.343 3.57 4 454.4 96.4
296 2 2 -5 37.861 75.722 0.343 3.57 4 166.7 13.0
297 5 3 4 37.865 75.731 0.343 3.57 4 351.1 57.5
298 11 5 -1 37.921 75.843 0.344 3.56 4 337.6 53.0
299 12 4 -2 37.978 75.956 0.344 3.55 4 22.3 0.2
300 4 2 -5 37.985 75.97 0.344 3.55 4 422.0 82.6
301 8 6 -2 37.995 75.99 0.344 3.54 4 519.7 125.2
302 1 1 5 38.138 76.277 0.345 3.52 4 392.9 71.1
303 11 3 2 38.186 76.373 0.346 3.51 4 202.6 18.9
304 8 6 1 38.239 76.477 0.346 3.51 4 59.0 1.6
305 3 7 -2 38.245 76.489 0.346 3.5 4 328.0 49.3
306 6 6 2 38.254 76.508 0.346 3.5 4 428.3 84.0
307 7 1 4 38.308 76.616 0.347 3.49 4 273.5 34.2
308 1 7 2 38.319 76.637 0.347 3.49 4 602.4 165.8
309 14 2 0 38.35 76.699 0.347 3.49 4 73.1 2.4
310 11 5 0 38.354 76.708 0.347 3.49 4 608.6 168.9
311 2 6 3 38.378 76.757 0.347 3.48 4 380.7 66.0
312 10 4 2 38.385 76.77 0.347 3.48 4 537.8 131.7
313 14 2 -2 38.493 76.987 0.348 3.47 4 158.4 11.4
314 3 5 -4 38.56 77.119 0.348 3.45 4 60.6 1.7
315 9 5 -3 38.579 77.158 0.349 3.45 4 461.7 96.2
316 0 2 5 38.601 77.202 0.349 3.45 4 98.2 4.3
317 7 1 -5 38.631 77.262 0.349 3.44 4 68.5 2.1
318 1 5 -4 38.633 77.266 0.349 3.44 4 162.7 11.9
319 8 4 -4 38.68 77.361 0.349 3.44 4 251.9 28.5
320 5 7 1 38.691 77.381 0.349 3.44 4 711.9 227.7
321 9 3 3 38.735 77.47 0.35 3.43 4 742.7 247.3
322 6 2 -5 38.969 77.939 0.352 3.39 4 164.0 11.9
323 12 2 2 38.972 77.944 0.352 3.39 4 224.6 22.4
324 6 6 -3 39.017 78.034 0.352 3.39 4 14.1 0.1
325 4 4 4 39.122 78.244 0.353 3.37 4 351.1 54.4
326 11 5 -2 39.197 78.395 0.353 3.36 4 94.6 3.9
327 10 2 3 39.206 78.412 0.353 3.36 4 81.8 2.9
328 8 4 3 39.245 78.49 0.354 3.35 4 45.3 0.9
329 12 0 -4 39.265 78.531 0.354 3.35 2 174.5 6.7
330 5 5 -4 39.344 78.688 0.354 3.34 4 286.6 35.9
331 15 1 -1 39.415 78.83 0.355 3.33 4 226.2 22.3
332 5 7 -2 39.496 78.992 0.356 3.32 4 419.7 76.5
333 9 5 2 39.564 79.128 0.356 3.31 4 320.6 44.5
334 1 5 4 39.564 79.128 0.356 3.31 4 437.1 82.8
335 12 4 1 39.62 79.24 0.356 3.3 4 884.3 337.9
336 3 7 2 39.642 79.285 0.357 3.3 4 513.4 113.8
337 13 3 1 39.734 79.468 0.357 3.29 4 646.7 179.9
338 3 3 -5 39.734 79.469 0.357 3.29 4 671.3 193.8
339 7 7 0 39.829 79.659 0.358 3.28 4 28.3 0.3
340 7 7 -1 39.865 79.73 0.358 3.27 4 386.0 63.8
341 8 0 4 39.997 79.994 0.359 3.26 2 971.1 200.8
342 10 6 -1 40.002 80.004 0.359 3.25 4 184.5 14.5
343 1 3 -5 40.039 80.078 0.36 3.25 4 529.9 119.4
344 3 1 5 40.159 80.317 0.361 3.24 4 321.2 43.7
345 2 2 5 40.19 80.38 0.361 3.23 4 412.0 71.7
346 15 1 -2 40.216 80.433 0.361 3.23 4 356.7 53.7
347 5 3 -5 40.282 80.564 0.361 3.22 4 542.7 124.0
348 15 1 0 40.305 80.611 0.362 3.22 4 73.6 2.3
349 10 6 0 40.313 80.626 0.362 3.22 4 353.4 52.5
350 0 8 0 40.319 80.638 0.362 3.22 2 193.2 7.8
351 4 6 3 40.359 80.717 0.362 3.21 4 366.5 56.4
352 11 5 1 40.48 80.959 0.363 3.2 4 383.5 61.5
353 13 3 -3 40.48 80.961 0.363 3.2 4 146.9 9.0
354 11 1 3 40.648 81.297 0.364 3.18 4 590.7 145.0
355 11 3 -4 40.704 81.408 0.365 3.17 4 128.4 6.8
356 13 1 2 40.726 81.452 0.365 3.17 4 814.4 274.8
357 7 5 3 40.726 81.453 0.365 3.17 4 3.0 0.0
358 2 8 0 40.744 81.488 0.365 3.17 4 642.8 171.1
359 12 2 -4 40.788 81.575 0.365 3.16 4 134.7 7.5
360 8 2 -5 40.797 81.594 0.365 3.16 4 677.6 189.8
361 14 2 1 40.821 81.641 0.365 3.16 4 553.9 126.7
362 12 4 -3 40.828 81.655 0.365 3.16 4 327.5 44.3
363 9 1 -5 40.887 81.774 0.366 3.15 4 679.1 190.0
364 7 5 -4 40.974 81.948 0.367 3.14 4 144.9 8.6
365 14 2 -3 41.103 82.207 0.367 3.13 4 589.0 141.9
366 0 8 1 41.161 82.321 0.368 3.12 4 345.6 48.8
367 1 3 5 41.191 82.382 0.368 3.12 4 129.3 6.8
368 8 6 -3 41.304 82.608 0.369 3.11 4 130.7 6.9
369 3 5 4 41.337 82.673 0.369 3.1 4 698.9 198.2
370 2 8 -1 41.354 82.708 0.369 3.1 4 84.4 2.9
371 7 3 4 41.357 82.714 0.369 3.1 4 91.3 3.4
372 10 6 -2 41.375 82.751 0.369 3.1 4 347.1 48.8
373 7 7 1 41.478 82.955 0.37 3.09 4 26.4 0.3
374 8 2 4 41.513 83.026 0.37 3.08 4 216.3 18.9
375 7 7 -2 41.583 83.167 0.371 3.08 4 215.1 18.6
376 10 4 -4 41.588 83.177 0.371 3.08 4 792.1 252.5
377 7 3 -5 41.675 83.349 0.372 3.07 4 560.8 126.3
378 8 6 2 41.701 83.402 0.372 3.07 4 1267.4 644.2
379 5 7 2 41.801 83.601 0.373 3.06 4 250.2 25.0
380 2 8 1 41.813 83.626 0.373 3.06 4 229.9 21.1
381 13 1 -4 41.839 83.677 0.373 3.05 4 450.1 80.9
382 1 7 -3 41.964 83.929 0.374 3.04 4 227.6 20.6
383 4 8 0 42.013 84.026 0.374 3.04 4 137.0 7.5
384 3 7 -3 42.121 84.242 0.375 3.03 4 496.0 97.4
385 14 4 -1 42.14 84.28 0.375 3.03 4 215.3 18.3
386 11 5 -3 42.14 84.28 0.375 3.03 4 255.2 25.8
387 6 4 4 42.167 84.334 0.375 3.02 4 261.4 27.0
388 10 6 1 42.301 84.602 0.376 3.01 4 224.8 19.9
389 4 8 -1 42.391 84.782 0.377 3.0 4 605.8 144.2
390 2 4 -5 42.429 84.858 0.377 3.0 4 224.6 19.8
391 15 3 -1 42.446 84.891 0.377 3.0 4 770.0 232.5
392 4 4 -5 42.55 85.099 0.378 2.99 4 88.6 3.1
393 4 2 5 42.607 85.214 0.378 2.99 4 557.2 121.3
394 9 1 4 42.633 85.266 0.379 2.98 4 449.0 78.7
395 1 7 3 42.651 85.301 0.379 2.98 4 493.9 95.1
396 2 6 -4 42.665 85.33 0.379 2.98 4 267.9 28.0
397 15 1 -3 42.689 85.377 0.379 2.98 4 465.9 84.6
398 13 5 -1 42.798 85.596 0.38 2.97 4 230.6 20.7
399 15 1 1 42.865 85.729 0.38 2.96 4 244.8 23.2
400 16 0 -2 42.886 85.771 0.38 2.96 2 854.4 141.4
401 14 4 0 42.905 85.81 0.381 2.96 4 247.0 23.6
402 5 1 5 42.997 85.994 0.381 2.95 4 190.5 14.0
403 4 6 -4 43.014 86.027 0.381 2.95 4 1030.7 410.3
404 9 7 -1 43.019 86.039 0.381 2.95 4 450.9 78.5
405 14 4 -2 43.045 86.091 0.382 2.95 4 89.9 3.1
406 5 7 -3 43.12 86.239 0.382 2.94 4 13.8 0.1
407 0 4 5 43.151 86.301 0.382 2.94 4 188.6 13.7
408 0 6 4 43.158 86.316 0.382 2.94 4 454.8 79.6
409 6 6 3 43.159 86.317 0.382 2.94 4 52.6 1.1
410 3 3 5 43.179 86.358 0.383 2.94 4 1147.6 506.5
411 16 0 0 43.202 86.404 0.383 2.94 2 412.8 32.8
412 9 7 0 43.213 86.425 0.383 2.94 4 91.1 3.2
413 15 3 -2 43.236 86.472 0.383 2.94 4 144.2 8.0
414 4 8 1 43.305 86.61 0.383 2.93 4 84.3 2.7
415 15 3 0 43.324 86.648 0.384 2.93 4 195.0 14.6
416 14 0 2 43.426 86.852 0.384 2.92 2 143.7 3.9
417 9 5 -4 43.432 86.863 0.384 2.92 4 458.2 80.2
418 13 5 0 43.447 86.895 0.384 2.92 4 495.7 93.9
419 10 2 -5 43.448 86.897 0.384 2.92 4 584.3 130.4
420 6 4 -5 43.511 87.022 0.385 2.92 4 281.2 30.2
421 12 4 2 43.514 87.027 0.385 2.92 4 329.2 41.3
422 2 8 -2 43.632 87.264 0.386 2.91 4 465.0 82.2
423 11 3 3 43.663 87.326 0.386 2.91 4 446.9 75.9
424 0 8 2 43.668 87.336 0.386 2.91 4 285.6 31.0
425 16 2 -1 43.712 87.424 0.386 2.9 4 424.5 68.4
426 13 3 2 43.74 87.48 0.386 2.9 4 351.5 46.9
427 10 4 3 43.743 87.485 0.387 2.9 4 96.2 3.5
428 13 5 -2 43.816 87.631 0.387 2.9 4 201.5 15.4
429 14 0 -4 43.846 87.693 0.387 2.89 2 346.3 22.7
430 9 3 -5 43.899 87.799 0.388 2.89 4 303.0 34.7
431 5 5 4 43.936 87.871 0.388 2.89 4 181.6 12.5
432 11 1 -5 43.958 87.915 0.388 2.89 4 56.6 1.2
433 6 8 0 44.116 88.232 0.389 2.88 4 184.9 12.9
434 3 7 3 44.176 88.351 0.39 2.87 4 706.4 187.5
435 6 6 -4 44.202 88.404 0.39 2.87 4 72.4 2.0
436 11 5 2 44.247 88.494 0.39 2.87 4 138.3 7.2
437 6 8 -1 44.265 88.529 0.39 2.87 4 1121.5 471.8
438 16 2 -2 44.387 88.774 0.391 2.86 4 67.3 1.7
439 10 6 -3 44.407 88.813 0.391 2.86 4 279.8 29.3
440 12 6 -1 44.415 88.829 0.391 2.86 4 80.2 2.4
441 4 8 -2 44.436 88.871 0.391 2.86 4 336.8 42.4
442 2 6 4 44.49 88.979 0.392 2.86 4 390.4 56.9
443 9 7 -2 44.492 88.985 0.392 2.86 4 167.1 10.4
444 12 2 3 44.543 89.087 0.392 2.85 4 76.9 2.2
445 2 8 2 44.543 89.087 0.392 2.85 4 294.8 32.4
446 16 2 0 44.702 89.405 0.393 2.84 4 127.4 6.0
447 10 0 4 44.709 89.419 0.393 2.84 2 177.4 5.9
448 2 4 5 44.71 89.42 0.393 2.84 4 77.8 2.2
449 7 7 2 44.78 89.56 0.394 2.84 4 1.0 0.0
450 9 5 3 44.782 89.564 0.394 2.84 4 78.0 2.3
451 13 3 -4 44.844 89.687 0.394 2.84 4 80.7 2.4
452 14 2 2 44.926 89.852 0.395 2.83 4 180.0 12.0
453 12 6 0 44.949 89.898 0.395 2.83 4 648.4 155.7
454 7 7 -3 44.955 89.91 0.395 2.83 4 264.6 25.9
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 2 0 0 4.909 9.818 10.45279 3774.1 57.0 57.9 5.6
2 1 1 0 5.25 10.5 9.77549 1668.6 25.2 25.6 5.6
3 0 2 0 9.309 18.618 5.5295 875.7 13.2 13.4 5.6
4 3 1 -1 10.236 20.472 5.03349 783.5 11.8 11.9 5.6
5 2 2 0 10.545 21.089 4.88774 871.1 13.2 13.3 5.6
6 0 2 1 11.637 23.275 4.43423 654.6 9.9 10.0 5.6
7 3 1 1 12.039 24.077 4.28848 999.0 15.1 15.2 5.6
8 2 2 -1 12.114 24.227 4.26236 167.7 2.5 2.6 5.6
9 2 2 1 13.18 26.36 3.92295 195.7 3.0 3.0 5.6
10 5 1 0 13.221 26.442 3.91093 1098.8 16.6 16.7 5.6
11 4 2 0 13.621 27.241 3.79826 713.9 10.8 10.8 5.6
12 5 1 -1 13.799 27.599 3.75001 736.9 11.1 11.2 5.6
13 2 0 -2 13.87 27.74 3.7313 1201.0 18.1 18.2 5.6
14 0 0 2 13.947 27.894 3.7111 892.1 13.5 13.5 5.6
15 1 3 0 14.264 28.527 3.63033 96.0 1.5 1.5 5.6
16 4 2 -1 14.422 28.844 3.59138 3009.4 45.5 45.6 5.6
17 1 1 -2 14.476 28.953 3.57814 423.2 6.4 6.4 5.6
18 6 0 0 14.875 29.75 3.48426 94.9 1.4 1.4 5.6
19 3 1 -2 15.25 30.5 3.40061 991.7 15.0 15.0 5.6
20 1 1 2 15.391 30.782 3.37018 2497.7 37.7 37.8 5.6
21 4 0 -2 15.507 31.015 3.34551 164.6 2.5 2.5 5.6
22 1 3 -1 15.702 31.404 3.30508 2315.1 35.0 35.0 5.6
23 3 3 0 15.932 31.865 3.2585 183.4 2.8 2.8 5.6
24 5 1 1 16.085 32.171 3.22829 4839.5 73.1 73.1 5.6
25 1 3 1 16.134 32.267 3.21889 6617.5 100.0 100.0 5.6
26 2 2 -2 16.81 33.619 3.09297 1739.6 26.3 26.3 5.7
27 3 3 -1 16.838 33.677 3.08781 1441.2 21.8 21.8 5.7
28 0 2 2 16.874 33.749 3.08143 439.9 6.6 6.6 5.7
29 5 1 -2 17.51 35.02 2.97288 2056.5 31.1 31.0 5.7
30 6 2 0 17.664 35.327 2.94784 553.3 8.4 8.3 5.7
31 3 1 2 17.759 35.518 2.93251 657.3 9.9 9.9 5.7
32 6 2 -1 17.919 35.839 2.90711 3642.8 55.0 54.9 5.7
33 7 1 0 18.073 36.146 2.88323 1179.8 17.8 17.8 5.7
34 7 1 -1 18.132 36.265 2.87412 1526.6 23.1 23.0 5.7
35 2 2 2 18.39 36.78 2.83518 779.7 11.8 11.7 5.7
36 4 0 2 18.746 37.492 2.78323 127.6 1.9 1.9 5.7
37 0 4 0 18.876 37.752 2.76475 68.7 1.0 1.0 5.7
38 5 3 -1 19.299 38.598 2.70643 526.0 7.9 7.9 5.7
39 2 4 0 19.551 39.102 2.67284 646.9 9.8 9.7 5.7
40 1 3 -2 19.807 39.614 2.63965 366.5 5.5 5.5 5.7
41 8 0 0 20.016 40.032 2.6132 341.9 5.2 5.1 5.7
42 6 2 1 20.137 40.274 2.59819 273.7 4.1 4.1 5.7
43 0 4 1 20.196 40.393 2.59084 473.5 7.2 7.1 5.7
44 2 4 -1 20.491 40.981 2.55521 347.4 5.2 5.2 5.7
45 7 1 1 20.677 41.354 2.53319 82.7 1.2 1.2 5.7
46 6 2 -2 20.818 41.636 2.51675 410.1 6.2 6.1 5.7
47 4 2 2 21.087 42.175 2.48606 87.4 1.3 1.3 5.7
48 2 4 1 21.176 42.352 2.47615 125.1 1.9 1.9 5.7
49 4 4 0 21.469 42.938 2.44387 518.0 7.8 7.7 5.7
50 3 1 -3 21.627 43.254 2.4269 1202.9 18.2 18.0 5.7
51 4 4 -1 22.016 44.033 2.38603 244.9 3.7 3.7 5.7
52 8 0 -2 22.256 44.513 2.36161 1112.2 16.8 16.6 5.7
53 3 3 2 22.412 44.825 2.34599 192.4 2.9 2.9 5.7
54 7 3 -1 22.721 45.442 2.31578 168.9 2.6 2.5 5.7
55 2 2 -3 22.968 45.936 2.29219 270.0 4.1 4.0 5.7
56 0 2 3 23.333 46.666 2.25832 126.3 1.9 1.9 5.7
57 4 2 -3 23.759 47.517 2.22015 886.1 13.4 13.2 5.7
58 0 4 2 23.793 47.586 2.21711 103.6 1.6 1.5 5.7
59 8 2 -2 24.321 48.642 2.17182 328.1 5.0 4.9 5.7
60 6 4 0 24.393 48.787 2.16576 334.3 5.1 5.0 5.7
61 3 1 3 24.473 48.946 2.15917 882.8 13.3 13.1 5.7
62 6 4 -1 24.591 49.181 2.14945 331.7 5.0 4.9 5.7
63 6 2 2 24.655 49.309 2.14424 1797.0 27.2 26.7 5.7
64 2 2 3 24.814 49.627 2.13135 750.0 11.3 11.1 5.7
65 7 3 1 24.88 49.761 2.12599 1337.7 20.2 19.9 5.7
66 2 4 2 24.957 49.914 2.11989 1031.4 15.6 15.3 5.7
67 7 1 -3 25.491 50.981 2.07839 366.9 5.5 5.4 5.8
68 3 3 -3 25.708 51.416 2.06198 76.8 1.2 1.1 5.8
69 3 5 -1 25.738 51.476 2.05975 316.6 4.8 4.7 5.8
70 1 3 3 26.377 52.753 2.01333 84.9 1.3 1.3 5.8
71 3 5 1 26.601 53.202 1.99756 331.0 5.0 4.9 5.8
72 10 0 -2 26.665 53.331 1.99309 169.3 2.6 2.5 5.8
73 10 2 -1 26.842 53.683 1.98097 456.1 6.9 6.7 5.8
74 6 4 -2 26.908 53.816 1.97644 132.0 2.0 1.9 5.8
75 5 3 -3 26.96 53.919 1.97295 1094.8 16.5 16.2 5.8
76 8 0 2 27.067 54.134 1.96572 573.7 8.7 8.5 5.8
77 5 5 0 27.226 54.452 1.9551 999.9 15.1 14.8 5.8
78 4 2 3 27.276 54.551 1.95181 67.8 1.0 1.0 5.8
79 5 1 3 27.473 54.946 1.93887 222.5 3.4 3.3 5.8
80 5 5 -1 27.548 55.095 1.93403 244.6 3.7 3.6 5.8
81 11 1 -1 28.021 56.042 1.90394 99.7 1.5 1.5 5.8
82 8 4 0 28.098 56.196 1.89913 225.1 3.4 3.3 5.8
83 3 5 -2 28.398 56.795 1.88074 551.0 8.3 8.1 5.8
84 10 2 -2 28.493 56.985 1.875 619.0 9.4 9.1 5.8
85 11 1 0 28.525 57.05 1.87305 615.4 9.3 9.0 5.8
86 4 0 -4 28.649 57.297 1.86565 636.3 9.6 9.4 5.8
87 9 1 -3 28.785 57.57 1.85755 593.9 9.0 8.7 5.8
88 1 1 -4 28.848 57.696 1.85386 72.1 1.1 1.1 5.8
89 5 5 1 28.914 57.828 1.84999 302.2 4.6 4.4 5.8
90 0 6 0 29.031 58.062 1.84317 1130.8 17.1 16.6 5.8
91 7 3 -3 29.169 58.338 1.83522 480.4 7.3 7.1 5.8
92 4 4 -3 29.388 58.777 1.82272 378.3 5.7 5.5 5.8
93 5 5 -2 29.836 59.672 1.79784 670.0 10.1 9.8 5.8
94 8 4 -2 29.875 59.751 1.79569 80.6 1.2 1.2 5.8
95 1 1 4 29.913 59.827 1.79362 148.9 2.3 2.2 5.8
96 2 2 -4 29.997 59.994 1.78907 888.2 13.4 13.0 5.8
97 6 4 2 30.166 60.332 1.78 695.8 10.5 10.2 5.8
98 7 5 0 30.214 60.428 1.77743 1255.4 19.0 18.4 5.8
99 7 5 -1 30.254 60.509 1.77529 92.3 1.4 1.3 5.8
100 2 4 3 30.305 60.61 1.77261 565.2 8.5 8.3 5.8
101 2 0 4 30.369 60.737 1.76925 304.3 4.6 4.5 5.8
102 6 2 3 30.563 61.125 1.75909 124.6 1.9 1.8 5.8
103 12 0 0 30.892 61.785 1.74213 488.5 7.4 7.1 5.8
104 5 3 3 30.993 61.986 1.73703 369.7 5.6 5.4 5.8
105 7 1 3 31.222 62.443 1.72559 148.8 2.2 2.2 5.8
106 11 3 -1 31.502 63.005 1.71178 360.6 5.4 5.3 5.9
107 12 0 -2 31.564 63.128 1.70877 475.3 7.2 6.9 5.9
108 3 1 4 31.899 63.799 1.69268 470.7 7.1 6.9 5.9
109 12 2 -1 31.977 63.953 1.68902 274.7 4.2 4.0 5.9
110 9 3 -3 32.215 64.431 1.67783 279.1 4.2 4.1 5.9
111 8 0 -4 32.325 64.65 1.67275 140.4 2.1 2.0 5.9
112 10 4 0 32.439 64.878 1.66751 200.1 3.0 2.9 5.9
113 4 4 3 32.489 64.978 1.66524 405.4 6.1 5.9 5.9
114 12 2 0 32.569 65.137 1.66161 97.5 1.5 1.4 5.9
115 11 1 -3 32.782 65.565 1.65197 693.6 10.5 10.1 5.9
116 8 4 -3 33.512 67.025 1.62005 167.9 2.5 2.4 5.9
117 10 4 -2 33.589 67.179 1.61677 486.7 7.4 7.0 5.9
118 10 2 2 33.651 67.303 1.61414 507.2 7.7 7.3 5.9
119 2 6 2 33.763 67.526 1.60945 121.3 1.8 1.8 5.9
120 5 5 -3 33.846 67.691 1.60597 72.0 1.1 1.0 5.9
121 9 1 -4 34.182 68.363 1.59208 415.3 6.3 6.0 5.9
122 4 2 4 34.427 68.854 1.58212 98.7 1.5 1.4 5.9
123 7 3 3 34.512 69.025 1.57868 332.2 5.0 4.8 5.9
124 8 2 3 34.556 69.112 1.57693 211.7 3.2 3.1 5.9
125 5 1 4 34.721 69.442 1.57038 118.3 1.8 1.7 5.9
126 2 4 -4 34.968 69.935 1.5607 1002.6 15.2 14.4 5.9
127 9 5 -2 35.313 70.627 1.54738 246.4 3.7 3.5 5.9
128 6 6 -2 35.405 70.81 1.5439 144.3 2.2 2.1 5.9
129 6 4 3 35.49 70.98 1.54068 87.2 1.3 1.3 5.9
130 9 1 3 35.62 71.239 1.53582 421.6 6.4 6.1 5.9
131 11 3 -3 36.001 72.001 1.52173 171.5 2.6 2.5 5.9
132 8 6 0 36.431 72.862 1.5062 116.0 1.8 1.7 6.0
133 13 1 1 36.647 73.295 1.49854 306.8 4.6 4.4 6.0
134 13 3 -1 36.687 73.374 1.49715 529.4 8.0 7.6 6.0
135 3 7 1 36.721 73.442 1.49596 355.0 5.4 5.1 6.0
136 14 0 0 36.798 73.597 1.49326 272.0 4.1 3.9 6.0
137 1 1 -5 36.96 73.92 1.48765 259.0 3.9 3.7 6.0
138 10 2 -4 36.995 73.99 1.48644 407.7 6.2 5.8 6.0
139 5 1 -5 37.209 74.419 1.47911 129.2 2.0 1.8 6.0
140 9 3 -4 37.345 74.689 1.47452 71.7 1.1 1.0 6.0
141 5 5 3 37.455 74.909 1.47083 123.8 1.9 1.8 6.0
142 5 7 -1 37.518 75.036 1.46871 152.0 2.3 2.2 6.0
143 4 6 -3 37.563 75.125 1.46722 159.2 2.4 2.3 6.0
144 1 7 -2 37.849 75.699 1.45775 166.9 2.5 2.4 6.0
145 8 6 -2 37.995 75.99 1.45301 207.8 3.1 3.0 6.0
146 1 1 5 38.138 76.277 1.44837 71.1 1.1 1.0 6.0
147 6 6 2 38.254 76.508 1.44466 134.9 2.0 1.9 6.0
148 1 7 2 38.319 76.637 1.4426 200.0 3.0 2.8 6.0
149 2 6 3 38.378 76.757 1.4407 369.1 5.6 5.2 6.0
150 9 5 -3 38.579 77.158 1.43437 102.2 1.5 1.5 6.0
151 5 7 1 38.691 77.381 1.43087 256.2 3.9 3.6 6.0
152 9 3 3 38.735 77.47 1.42949 247.3 3.7 3.5 6.0
153 5 7 -2 39.496 78.992 1.40633 76.5 1.2 1.1 6.0
154 1 5 4 39.564 79.128 1.40431 127.3 1.9 1.8 6.0
155 12 4 1 39.62 79.24 1.40266 451.7 6.8 6.4 6.0
156 3 3 -5 39.734 79.469 1.39928 373.8 5.6 5.3 6.0
157 8 0 4 39.997 79.994 1.39162 215.3 3.3 3.0 6.0
158 1 3 -5 40.039 80.078 1.39041 119.4 1.8 1.7 6.0
159 2 2 5 40.19 80.38 1.38607 125.5 1.9 1.8 6.0
160 5 3 -5 40.282 80.564 1.38343 126.3 1.9 1.8 6.1
161 11 5 1 40.48 80.959 1.37783 70.5 1.1 1.0 6.1
162 11 1 3 40.648 81.297 1.37311 145.0 2.2 2.0 6.1
163 13 1 2 40.726 81.452 1.37094 452.8 6.8 6.4 6.1
164 8 2 -5 40.797 81.594 1.36898 368.3 5.6 5.2 6.1
165 9 1 -5 40.887 81.774 1.36649 190.0 2.9 2.7 6.1
166 14 2 -3 41.103 82.207 1.36056 141.9 2.1 2.0 6.1
167 3 5 4 41.337 82.673 1.35425 204.5 3.1 2.9 6.1
168 10 4 -4 41.588 83.177 1.34753 271.2 4.1 3.8 6.1
169 8 6 2 41.701 83.402 1.34456 770.5 11.6 10.8 6.1
170 13 1 -4 41.839 83.677 1.34095 80.9 1.2 1.1 6.1
171 3 7 -3 42.121 84.242 1.33362 141.5 2.1 2.0 6.1
172 4 8 -1 42.391 84.782 1.32672 144.2 2.2 2.0 6.1
173 15 3 -1 42.446 84.891 1.32534 252.3 3.8 3.5 6.1
174 4 2 5 42.607 85.214 1.32128 199.9 3.0 2.8 6.1
175 1 7 3 42.651 85.301 1.32018 123.1 1.9 1.7 6.1
176 15 1 -3 42.689 85.377 1.31924 84.6 1.3 1.2 6.1
177 16 0 -2 42.886 85.771 1.31434 188.3 2.8 2.6 6.1
178 9 7 -1 43.019 86.039 1.31105 506.0 7.6 7.0 6.1
179 3 3 5 43.179 86.358 1.30716 636.8 9.6 8.9 6.1
180 10 2 -5 43.448 86.897 1.30066 308.5 4.7 4.3 6.1
181 12 4 2 43.514 87.027 1.2991 71.5 1.1 1.0 6.1
182 2 8 -2 43.632 87.264 1.29627 82.2 1.2 1.1 6.2
183 11 3 3 43.663 87.326 1.29554 106.9 1.6 1.5 6.2
184 16 2 -1 43.712 87.424 1.29438 118.8 1.8 1.6 6.2
185 3 7 3 44.176 88.351 1.28356 189.5 2.9 2.6 6.2
186 6 8 -1 44.265 88.529 1.28151 479.0 7.2 6.6 6.2
187 4 8 -2 44.436 88.871 1.2776 75.8 1.1 1.0 6.2
188 2 6 4 44.49 88.979 1.27638 67.3 1.0 0.9 6.2
189 7 7 -3 44.955 89.91 1.26595 193.6 2.9 2.7 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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