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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ZOISITE
10, t-zoisite, syn
[Ca(1.5)Sr(0.5)]Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
Pnma
24 .1 .13
Ref.Str.:
Dorsam G., Liebscher A., Franz G., Gottschalk M. (2007)
* Amer. Mineral., 92, 1133-1147
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.2278 alpha = 90.0
b = 5.5576 beta = 90.0
c = 10.0893 gamma = 90.0
Unit cell volume (cub. angs.) = 909.93
Molar volume ( cub.cm/mol.) = 137.02
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3661 0.25 0.436 0.0 Ca = 0.94, Sr = 0.06
2 0.4551 0.25 0.1118 0.0 Ca = 0.56, Sr = 0.44
3 0.2493 0.997 0.184 0.0 Al = 1.00
4 0.107 0.75 0.2945 0.0 Al = 1.00
5 0.082 0.25 0.097 0.0 Si = 1.00
6 0.414 0.75 0.279 0.0 Si = 1.00
7 0.158 0.25 0.43 0.0 Si = 1.00
8 0.13 0.005 0.145 0.0 O = 1.00
9 0.105 0.019 0.424 0.0 O = 1.00
10 0.36 0.989 0.241 0.0 O = 1.00
11 0.223 0.75 0.298 0.0 O = 1.00
12 0.2286 0.25 0.317 0.0 O = 1.00
13 0.273 0.75 0.066 0.0 O = 1.00
14 0.994 0.25 0.161 0.0 O = 1.00
15 0.004 0.75 0.294 0.0 O = 1.00
16 0.419 0.75 0.445 0.0 O = 1.00
17 0.264 0.25 0.077 0.0 O = 1.00
18 0.26 0.25 0.95 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3661 0.25 0.436
2 2 0.4551 0.25 0.1118
3 3 0.2493 0.997 0.184
4 4 0.107 0.75 0.2945
5 5 0.082 0.25 0.097
6 6 0.414 0.75 0.279
7 7 0.158 0.25 0.43
8 8 0.13 0.005 0.145
9 9 0.105 0.019 0.424
10 10 0.36 0.989 0.241
11 11 0.223 0.75 0.298
12 12 0.2286 0.25 0.317
13 13 0.273 0.75 0.066
14 14 0.994 0.25 0.161
15 15 0.004 0.75 0.294
16 16 0.419 0.75 0.445
17 17 0.264 0.25 0.077
18 18 0.26 0.25 0.95
19 1 0.1339 0.75 0.936
20 2 0.0449 0.75 0.6118
21 3 0.2507 0.003 0.684
22 4 0.393 0.25 0.7945
23 5 0.418 0.75 0.597
24 6 0.086 0.25 0.779
25 7 0.342 0.75 0.93
26 8 0.37 0.995 0.645
27 9 0.395 0.981 0.924
28 10 0.14 0.011 0.741
29 11 0.277 0.25 0.798
30 12 0.2714 0.75 0.817
31 13 0.227 0.25 0.566
32 14 0.506 0.75 0.661
33 15 0.496 0.25 0.794
34 16 0.081 0.25 0.945
35 17 0.236 0.75 0.577
36 18 0.24 0.75 0.45
37 3 0.2507 0.497 0.684
38 8 0.37 0.505 0.645
39 9 0.395 0.519 0.924
40 10 0.14 0.489 0.741
41 3 0.2493 0.503 0.184
42 8 0.13 0.495 0.145
43 9 0.105 0.481 0.424
44 10 0.36 0.511 0.241
45 1 0.8661 0.25 0.064
46 2 0.9551 0.25 0.3882
47 3 0.7493 0.997 0.316
48 4 0.607 0.75 0.2055
49 5 0.582 0.25 0.403
50 6 0.914 0.75 0.221
51 7 0.658 0.25 0.07
52 8 0.63 0.005 0.355
53 9 0.605 0.019 0.076
54 10 0.86 0.989 0.259
55 11 0.723 0.75 0.202
56 12 0.7286 0.25 0.183
57 13 0.773 0.75 0.434
58 14 0.494 0.25 0.339
59 15 0.504 0.75 0.206
60 16 0.919 0.75 0.055
61 17 0.764 0.25 0.423
62 18 0.76 0.25 0.55
63 1 0.6339 0.75 0.564
64 2 0.5449 0.75 0.8882
65 3 0.7507 0.003 0.816
66 4 0.893 0.25 0.7055
67 5 0.918 0.75 0.903
68 6 0.586 0.25 0.721
69 7 0.842 0.75 0.57
70 8 0.87 0.995 0.855
71 9 0.895 0.981 0.576
72 10 0.64 0.011 0.759
73 11 0.777 0.25 0.702
74 12 0.7714 0.75 0.683
75 13 0.727 0.25 0.934
76 14 0.006 0.75 0.839
77 15 0.996 0.25 0.706
78 16 0.581 0.25 0.555
79 17 0.736 0.75 0.923
80 18 0.74 0.75 0.05
81 3 0.7507 0.497 0.816
82 8 0.87 0.505 0.855
83 9 0.895 0.519 0.576
84 10 0.64 0.489 0.759
85 3 0.7493 0.503 0.316
86 8 0.63 0.495 0.355
87 9 0.605 0.481 0.076
88 10 0.86 0.511 0.259
X-ray density (g/cm cub.) = 3.49
MU (1/cm) = 194.456 Mass attenuation coefficient (cm**2/g) = 55.734
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Sr 3.072 9
2.4463 10
2.5338 12
2.9098 16
2.9098 16
2.5414 8
2.6107 13
2.5414 8
2.4463 10
2.2947 14
2 Ca ,Sr 3.072 9
2.4869 10
2.6031 9
2.6031 9
2.4869 10
2.7742 9
2.3776 14
3.0422 15
3.0422 15
2.7741 9
3 Al 2.316 6
1.9761 8
1.8867 10
1.841 11
1.9724 12
1.8573 13
1.7887 17
4 Al 2.316 6
2.1031 8
1.9857 9
1.8828 11
1.6715 15
2.1031 8
1.9857 9
5 Si 2.1 4
1.6417 8
1.5672 14
1.5337 16
1.6417 8
6 Si 2.1 4
1.6368 10
1.6768 16
1.6368 10
1.6357 15
7 Si 2.1 4
1.5465 9
1.6163 12
1.771 13
1.5465 9
8 O 3.264 10
2.8451 9
2.5824 11
2.725 12
2.8335 13
2.5982 14
2.9067 15
2.6558 17
2.5609 16
2.7232 8
2.8344 8
9 O 3.264 9
2.8451 8
2.7419 11
2.6147 12
2.5771 15
3.2487 10
2.7605 13
3.0228 17
2.5676 9
2.99 9
10 O 3.264 10
2.6529 11
2.6905 12
2.622 13
2.6301 16
2.6961 17
3.2487 9
2.9011 10
2.6565 10
2.7947 14
2.711 15
11 O 3.264 10
2.5824 8
2.7419 9
2.6529 10
2.7869 12
2.7869 12
2.4774 13
2.8228 17
2.5824 8
2.7419 9
2.6529 10
12 O 3.264 10
2.725 8
2.6147 9
2.6905 10
2.7869 11
2.7869 11
2.4886 17
2.5124 13
2.725 8
2.6147 9
2.6905 10
13 O 3.264 10
2.8335 8
2.622 10
2.4774 11
2.7848 17
2.7848 17
2.7605 9
2.5124 12
2.7605 9
2.8335 8
2.622 10
14 O 3.264 9
2.5982 8
3.0901 15
3.0901 15
2.5966 16
2.5982 8
2.7947 10
3.2166 16
3.2166 16
2.7947 10
15 O 3.264 9
2.9067 8
2.5771 9
3.0901 14
3.0901 14
2.9067 8
2.5771 9
2.711 10
2.778 16
2.711 10
16 O 3.264 9
2.6301 10
2.5609 8
2.5966 14
3.2546 17
2.5609 8
2.6301 10
3.2166 14
3.2166 14
2.778 15
17 O 3.264 11
2.6558 8
2.6961 10
2.4886 12
2.7848 13
2.7848 13
3.0228 9
2.8228 11
3.2546 16
3.0228 9
2.6558 8
2.6961 10
18 H 1.632 2
1.283 17
1.5582 11
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 1 5.158 10.316 0.058 244.49 4 15.0 26.7
2 2 0 0 5.447 10.895 0.062 218.94 2 21.4 24.1
3 2 0 1 6.997 13.995 0.079 131.8 4 2.2 0.3
4 0 0 2 8.783 17.566 0.099 82.85 2 88.5 156.8
5 0 1 1 9.105 18.209 0.103 76.95 4 35.5 47.0
6 1 0 2 9.201 18.402 0.104 75.29 4 33.2 40.1
7 3 0 1 9.298 18.597 0.105 73.68 4 24.6 21.5
8 1 1 1 9.509 19.018 0.107 70.36 8 26.4 47.2
9 2 1 0 9.671 19.342 0.109 67.94 4 6.4 1.4
10 2 0 2 10.358 20.716 0.117 58.96 4 32.4 29.8
11 2 1 1 10.634 21.267 0.12 55.83 8 18.2 17.8
12 4 0 0 10.945 21.89 0.123 52.58 2 75.8 73.0
13 4 0 1 11.809 23.617 0.133 44.87 4 62.6 84.8
14 3 0 2 12.051 24.103 0.136 43.0 4 52.7 57.7
15 1 1 2 12.217 24.433 0.137 41.79 8 12.2 6.0
16 3 1 1 12.291 24.582 0.138 41.26 8 85.4 290.9
17 2 1 2 13.122 26.243 0.147 35.95 8 4.7 0.8
18 1 0 3 13.527 27.054 0.152 33.71 4 26.7 11.6
19 4 1 0 13.596 27.192 0.153 33.35 4 26.2 11.0
20 4 0 2 14.102 28.204 0.158 30.86 4 74.2 82.2
21 4 1 1 14.31 28.619 0.16 29.91 8 35.6 36.6
22 2 0 3 14.355 28.711 0.161 29.71 4 56.3 45.4
23 5 0 1 14.437 28.873 0.162 29.35 4 99.7 141.0
24 3 1 2 14.513 29.027 0.163 29.02 8 39.6 44.0
25 0 1 3 15.528 31.056 0.174 25.11 4 295.2 1057.1
26 3 0 3 15.646 31.292 0.175 24.7 4 20.7 5.1
27 1 1 3 15.776 31.553 0.176 24.27 8 65.4 100.2
28 0 2 0 16.093 32.186 0.18 23.25 2 266.0 397.5
29 4 1 2 16.279 32.558 0.182 22.68 8 12.5 3.4
30 5 0 2 16.392 32.784 0.183 22.34 4 188.1 381.8
31 2 1 3 16.502 33.003 0.184 22.02 8 84.7 152.6
32 6 0 0 16.547 33.094 0.185 21.89 2 175.6 163.1
33 5 1 1 16.574 33.147 0.185 21.81 8 184.4 716.2
34 1 2 1 16.943 33.885 0.189 20.79 8 14.2 4.1
35 2 2 0 17.038 34.076 0.19 20.54 4 141.1 197.5
36 6 0 1 17.149 34.298 0.191 20.25 4 51.2 25.6
37 4 0 3 17.308 34.615 0.193 19.85 4 14.9 2.1
38 2 2 1 17.625 35.25 0.197 19.08 8 28.6 15.0
39 3 1 3 17.651 35.303 0.197 19.01 8 94.8 165.1
40 0 0 4 17.781 35.563 0.198 18.71 2 95.3 41.1
41 1 0 4 18.002 36.004 0.201 18.21 4 73.9 48.1
42 5 1 2 18.325 36.65 0.204 17.52 8 31.0 16.3
43 0 2 2 18.45 36.899 0.205 17.26 4 91.9 70.5
44 6 1 0 18.466 36.931 0.206 17.22 4 23.1 4.5
45 2 0 4 18.651 37.302 0.208 16.85 4 62.2 31.5
46 1 2 2 18.664 37.327 0.208 16.82 8 108.3 190.7
47 3 2 1 18.714 37.429 0.208 16.72 8 17.4 4.9
48 6 0 2 18.854 37.707 0.21 16.45 4 38.1 11.5
49 6 1 1 19.014 38.029 0.211 16.15 8 52.6 43.2
50 4 1 3 19.16 38.32 0.213 15.88 8 84.3 108.9
51 5 0 3 19.258 38.517 0.214 15.7 4 24.5 4.6
52 2 2 2 19.293 38.587 0.214 15.64 8 100.6 153.0
53 4 2 0 19.633 39.265 0.218 15.04 4 32.4 7.6
54 3 0 4 19.691 39.383 0.219 14.94 4 14.9 1.6
55 1 1 4 19.798 39.596 0.22 14.76 8 46.3 30.6
56 7 0 1 19.933 39.867 0.221 14.54 4 65.1 29.8
57 4 2 1 20.155 40.309 0.224 14.19 8 92.0 116.0
58 3 2 2 20.306 40.612 0.225 13.96 8 69.9 65.9
59 2 1 4 20.398 40.796 0.226 13.82 8 23.1 7.1
60 6 1 2 20.586 41.173 0.228 13.54 8 13.8 2.5
61 5 1 3 20.963 41.926 0.232 13.0 8 8.3 0.9
62 4 0 4 21.075 42.151 0.233 12.84 4 46.8 13.6
63 1 2 3 21.266 42.532 0.235 12.59 8 77.6 73.2
64 3 1 4 21.367 42.735 0.237 12.45 8 50.0 30.1
65 6 0 3 21.437 42.873 0.237 12.36 4 134.0 107.2
66 7 0 2 21.449 42.898 0.237 12.35 4 32.3 6.2
67 7 1 1 21.594 43.187 0.239 12.16 8 19.3 4.4
68 4 2 2 21.658 43.315 0.24 12.08 8 22.1 5.7
69 2 2 3 21.833 43.666 0.241 11.86 8 142.6 233.2
70 5 2 1 21.89 43.779 0.242 11.8 8 127.0 183.7
71 8 0 0 22.317 44.634 0.246 11.29 2 207.5 117.5
72 1 0 5 22.623 45.247 0.25 10.95 4 25.5 3.4
73 4 1 4 22.667 45.335 0.25 10.9 8 69.6 51.0
74 3 2 3 22.752 45.505 0.251 10.81 8 31.8 10.6
75 5 0 4 22.753 45.507 0.251 10.81 4 136.0 96.7
76 8 0 1 22.789 45.577 0.251 10.77 4 96.4 48.4
77 6 1 3 23.009 46.017 0.254 10.54 8 14.2 2.1
78 7 1 2 23.02 46.041 0.254 10.53 8 63.1 40.5
79 2 0 5 23.164 46.327 0.255 10.38 4 91.8 42.2
80 5 2 2 23.302 46.604 0.257 10.24 8 126.8 159.2
81 6 2 0 23.418 46.835 0.258 10.13 4 18.5 1.7
82 7 0 3 23.801 47.602 0.262 9.76 4 35.8 6.0
83 8 1 0 23.843 47.687 0.262 9.72 4 111.9 58.8
84 6 2 1 23.872 47.744 0.263 9.7 8 30.1 8.5
85 0 1 5 23.961 47.922 0.264 9.61 4 28.7 3.8
86 4 2 3 23.993 47.987 0.264 9.59 8 20.0 3.7
87 3 0 5 24.043 48.087 0.264 9.54 4 55.6 14.3
88 1 1 5 24.134 48.269 0.265 9.46 8 29.5 8.0
89 8 0 2 24.16 48.32 0.266 9.44 4 84.1 32.3
90 5 1 4 24.258 48.516 0.267 9.35 8 57.6 30.0
91 8 1 1 24.292 48.584 0.267 9.32 8 23.7 5.0
92 0 2 4 24.358 48.715 0.268 9.26 4 54.7 13.4
93 1 2 4 24.529 49.058 0.269 9.12 8 146.7 189.4
94 2 1 5 24.649 49.298 0.271 9.02 8 64.2 35.9
95 6 0 4 24.682 49.363 0.271 8.99 4 18.3 1.5
96 0 3 1 25.008 50.017 0.274 8.72 4 32.1 4.3
97 2 2 4 25.038 50.076 0.275 8.7 8 51.7 22.5
98 1 3 1 25.176 50.353 0.276 8.59 8 10.4 0.9
99 6 2 2 25.198 50.397 0.276 8.57 8 21.4 3.8
100 4 0 5 25.236 50.471 0.277 8.55 4 34.6 4.9
101 2 3 0 25.246 50.491 0.277 8.54 4 42.2 7.3
102 7 1 3 25.258 50.516 0.277 8.53 8 0.9 0.0
103 3 1 5 25.49 50.98 0.279 8.35 8 8.0 0.5
104 5 2 3 25.521 51.042 0.28 8.33 8 21.9 3.8
105 8 1 2 25.602 51.204 0.28 8.27 8 22.5 4.1
106 2 3 1 25.676 51.351 0.281 8.22 8 7.5 0.4
107 9 0 1 25.72 51.439 0.282 8.18 4 22.9 2.1
108 3 2 4 25.869 51.739 0.283 8.08 8 42.8 14.3
109 7 2 1 26.065 52.131 0.285 7.94 8 16.9 2.2
110 6 1 4 26.102 52.205 0.286 7.91 8 73.2 41.0
111 8 0 3 26.325 52.65 0.288 7.76 4 26.5 2.6
112 1 3 2 26.454 52.909 0.289 7.68 8 6.8 0.3
113 3 3 1 26.493 52.986 0.29 7.65 8 74.3 40.8
114 4 1 5 26.635 53.27 0.291 7.56 8 82.9 50.2
115 5 0 5 26.711 53.423 0.292 7.51 4 25.6 2.4
116 7 0 4 26.826 53.653 0.293 7.44 4 51.0 9.4
117 2 3 2 26.937 53.874 0.294 7.37 8 2.8 0.1
118 9 0 2 26.979 53.959 0.294 7.34 4 77.0 21.0
119 4 2 4 27.003 54.006 0.295 7.32 8 48.3 16.5
120 9 1 1 27.101 54.202 0.296 7.26 8 76.6 41.2
121 4 3 0 27.2 54.4 0.297 7.2 4 27.9 2.7
122 0 0 6 27.263 54.526 0.297 7.17 2 136.7 32.3
123 6 2 3 27.303 54.607 0.298 7.14 8 17.9 2.2
124 7 2 2 27.314 54.628 0.298 7.14 8 105.6 77.0
125 1 0 6 27.421 54.843 0.299 7.07 4 96.3 31.7
126 4 3 1 27.609 55.217 0.301 6.96 8 34.4 8.0
127 8 1 3 27.685 55.37 0.302 6.92 8 16.1 1.7
128 3 3 2 27.728 55.456 0.302 6.9 8 36.6 8.9
129 2 0 6 27.892 55.785 0.304 6.8 4 63.6 13.3
130 8 2 0 28.044 56.087 0.305 6.72 4 96.9 30.5
131 5 1 5 28.059 56.118 0.305 6.71 8 124.0 99.7
132 7 1 4 28.17 56.34 0.306 6.65 8 24.2 3.8
133 1 2 5 28.304 56.607 0.308 6.58 8 4.7 0.1
134 9 1 2 28.318 56.636 0.308 6.57 8 124.1 97.9
135 10 0 0 28.338 56.675 0.308 6.56 2 106.7 18.1
136 0 3 3 28.34 56.681 0.308 6.56 4 207.0 135.8
137 5 2 4 28.414 56.828 0.309 6.52 8 195.9 241.9
138 6 0 5 28.442 56.884 0.309 6.51 4 80.2 20.2
139 8 2 1 28.444 56.889 0.309 6.51 8 23.6 3.5
140 1 3 3 28.494 56.989 0.31 6.48 8 55.2 19.1
141 3 0 6 28.666 57.332 0.311 6.4 4 203.7 128.3
142 10 0 1 28.736 57.471 0.312 6.36 4 16.7 0.9
143 1 1 6 28.746 57.493 0.312 6.36 8 60.0 22.1
144 2 2 5 28.765 57.53 0.312 6.35 8 4.3 0.1
145 4 3 2 28.811 57.623 0.313 6.32 8 19.9 2.4
146 2 3 3 28.954 57.908 0.314 6.25 8 67.7 27.7
147 9 0 3 28.994 57.989 0.315 6.23 4 1.7 0.0
148 5 3 1 29.0 58.0 0.315 6.23 8 147.1 130.2
149 8 0 4 29.163 58.326 0.316 6.15 4 30.2 2.7
150 2 1 6 29.203 58.407 0.317 6.13 8 24.5 3.5
151 7 2 3 29.314 58.627 0.318 6.08 8 5.2 0.2
152 3 2 5 29.524 59.047 0.32 5.98 8 47.0 12.8
153 8 2 2 29.625 59.25 0.321 5.94 8 51.2 15.0
154 10 1 0 29.636 59.272 0.321 5.93 4 166.8 79.7
155 3 3 3 29.71 59.419 0.322 5.9 8 70.9 28.7
156 4 0 6 29.727 59.454 0.322 5.89 4 150.9 64.8
157 6 1 5 29.737 59.475 0.322 5.89 8 65.1 24.1
158 10 0 2 29.909 59.818 0.324 5.81 4 21.5 1.3
159 3 1 6 29.955 59.91 0.324 5.79 8 21.5 2.6
160 10 1 1 30.023 60.046 0.325 5.76 8 113.0 71.1
161 6 2 4 30.08 60.16 0.325 5.74 8 31.2 5.4
162 5 3 2 30.167 60.334 0.326 5.7 8 41.4 9.4
163 6 3 0 30.264 60.528 0.327 5.66 4 3.3 0.0
164 9 1 3 30.275 60.55 0.327 5.66 8 9.2 0.5
165 7 0 5 30.403 60.807 0.329 5.6 4 32.5 2.9
166 8 1 4 30.439 60.878 0.329 5.59 8 59.7 19.2
167 4 2 5 30.566 61.133 0.33 5.54 8 20.5 2.3
168 6 3 1 30.646 61.292 0.331 5.51 8 48.5 12.5
169 4 3 3 30.748 61.497 0.332 5.47 8 52.7 14.7
170 4 1 6 30.989 61.978 0.334 5.37 8 8.8 0.4
171 9 2 1 30.994 61.988 0.334 5.37 8 54.5 15.4
172 5 0 6 31.058 62.116 0.335 5.35 4 1.2 0.0
173 10 1 2 31.166 62.333 0.336 5.3 8 17.9 1.6
174 1 3 4 31.203 62.406 0.336 5.29 8 18.7 1.8
175 8 2 3 31.532 63.063 0.339 5.17 8 25.7 3.3
176 2 3 4 31.638 63.277 0.34 5.13 8 18.4 1.7
177 7 1 5 31.649 63.299 0.341 5.13 8 76.7 29.2
178 9 0 4 31.677 63.354 0.341 5.12 4 127.7 40.3
179 6 3 2 31.776 63.553 0.342 5.08 8 6.1 0.2
180 10 0 3 31.805 63.611 0.342 5.07 4 121.9 36.4
181 11 0 1 31.849 63.698 0.343 5.06 4 51.5 6.5
182 5 2 5 31.877 63.754 0.343 5.05 8 55.0 14.7
183 7 2 4 31.98 63.96 0.344 5.01 8 145.9 103.1
184 5 3 3 32.055 64.11 0.345 4.99 8 14.9 1.1
185 9 2 2 32.117 64.234 0.345 4.97 8 92.5 41.0
186 5 1 6 32.29 64.58 0.347 4.91 8 32.4 5.0
187 3 3 4 32.357 64.713 0.347 4.89 8 42.8 8.6
188 0 2 6 32.372 64.745 0.348 4.88 4 150.5 53.4
189 1 0 7 32.448 64.895 0.348 4.86 4 26.4 1.6
190 1 2 6 32.515 65.03 0.349 4.84 8 134.7 84.8
191 7 3 1 32.527 65.054 0.349 4.83 8 3.4 0.1
192 8 0 5 32.577 65.155 0.35 4.82 4 34.5 2.8
193 6 0 6 32.642 65.285 0.35 4.8 4 2.5 0.0
194 2 0 7 32.874 65.748 0.352 4.72 4 36.7 3.1
195 9 1 4 32.896 65.791 0.353 4.72 8 14.2 0.9
196 2 2 6 32.941 65.881 0.353 4.7 8 40.1 7.3
197 11 0 2 32.957 65.913 0.353 4.7 4 67.6 10.4
198 10 1 3 33.022 66.043 0.354 4.68 8 52.6 12.5
199 11 1 1 33.065 66.129 0.354 4.67 8 4.5 0.1
200 10 2 0 33.345 66.69 0.357 4.58 4 29.4 1.9
201 4 3 4 33.348 66.696 0.357 4.58 8 61.9 16.9
202 6 2 5 33.44 66.88 0.358 4.55 8 2.5 0.0
203 0 1 7 33.511 67.023 0.358 4.53 4 82.6 15.0
204 3 0 7 33.578 67.156 0.359 4.52 4 49.9 5.4
205 6 3 3 33.613 67.227 0.359 4.51 8 10.7 0.5
206 7 3 2 33.623 67.245 0.359 4.5 8 41.7 7.6
207 3 2 6 33.644 67.288 0.36 4.5 8 85.7 31.9
208 1 1 7 33.652 67.303 0.36 4.49 8 11.4 0.6
209 0 4 0 33.669 67.338 0.36 4.49 2 469.9 239.5
210 10 2 1 33.708 67.415 0.36 4.48 8 7.8 0.3
211 8 1 5 33.779 67.558 0.361 4.46 8 43.4 8.1
212 6 1 6 33.843 67.686 0.362 4.44 8 13.0 0.7
213 9 2 3 33.944 67.889 0.362 4.41 8 34.9 5.2
214 2 1 7 34.07 68.14 0.364 4.38 8 67.3 19.2
215 8 2 4 34.099 68.198 0.364 4.37 8 56.8 13.6
216 11 1 2 34.151 68.303 0.364 4.36 8 64.0 17.3
217 1 4 1 34.169 68.338 0.365 4.35 8 10.2 0.4
218 2 4 0 34.227 68.453 0.365 4.34 4 3.8 0.0
219 8 3 0 34.271 68.541 0.366 4.33 4 86.3 15.6
220 10 0 4 34.362 68.724 0.366 4.3 4 65.9 9.0
221 0 3 5 34.364 68.729 0.366 4.3 4 18.4 0.7
222 7 0 6 34.464 68.929 0.367 4.28 4 9.6 0.2
223 1 3 5 34.503 69.005 0.368 4.27 8 25.9 2.8
224 4 0 7 34.552 69.103 0.368 4.25 4 13.8 0.4
225 2 4 1 34.585 69.17 0.368 4.25 8 4.5 0.1
226 5 3 4 34.602 69.204 0.369 4.24 8 61.6 15.5
227 4 2 6 34.617 69.234 0.369 4.24 8 9.8 0.4
228 8 3 1 34.629 69.257 0.369 4.24 8 18.0 1.3
229 12 0 0 34.722 69.445 0.37 4.21 2 38.9 1.5
230 11 0 3 34.761 69.523 0.37 4.2 4 56.0 6.4
231 3 1 7 34.762 69.524 0.37 4.2 8 27.5 3.1
232 10 2 2 34.785 69.569 0.37 4.2 8 175.8 125.4
233 2 3 5 34.916 69.833 0.372 4.16 8 55.1 12.2
234 9 0 5 34.953 69.906 0.372 4.16 4 92.7 17.3
235 12 0 1 35.078 70.156 0.373 4.13 4 44.7 4.0
236 0 4 2 35.102 70.205 0.373 4.12 4 48.2 4.6
237 1 4 2 35.24 70.479 0.375 4.09 8 22.2 1.9
238 7 2 5 35.242 70.483 0.375 4.09 8 1.0 0.0
239 3 4 1 35.272 70.545 0.375 4.08 8 21.6 1.8
240 7 3 3 35.411 70.822 0.376 4.05 8 2.9 0.0
241 10 1 4 35.534 71.068 0.377 4.02 8 16.8 1.1
242 3 3 5 35.601 71.202 0.378 4.01 8 17.9 1.2
243 7 1 6 35.635 71.27 0.378 4.0 8 39.0 5.9
244 2 4 2 35.649 71.299 0.378 4.0 8 21.8 1.8
245 8 3 2 35.693 71.386 0.379 3.99 8 5.1 0.1
246 4 1 7 35.721 71.442 0.379 3.98 8 18.1 1.3
247 5 0 7 35.786 71.571 0.38 3.97 4 46.7 4.2
248 5 2 6 35.85 71.7 0.38 3.95 8 84.9 27.5
249 4 4 0 35.874 71.749 0.38 3.95 4 41.0 3.2
250 12 1 0 35.889 71.778 0.381 3.94 4 13.6 0.4
251 11 1 3 35.928 71.855 0.381 3.93 8 14.5 0.8
252 6 3 4 36.106 72.213 0.383 3.9 8 63.3 15.1
253 9 1 5 36.117 72.233 0.383 3.89 8 14.1 0.8
254 12 0 2 36.137 72.273 0.383 3.89 4 51.8 5.0
255 4 4 1 36.225 72.45 0.384 3.87 8 42.4 6.7
256 12 1 1 36.24 72.48 0.384 3.87 8 47.5 8.4
257 3 4 2 36.328 72.656 0.385 3.85 8 27.0 2.7
258 9 2 4 36.427 72.854 0.385 3.83 8 9.2 0.3
259 8 0 6 36.513 73.026 0.386 3.81 4 53.6 5.3
260 10 2 3 36.547 73.095 0.387 3.81 8 177.0 115.2
261 4 3 5 36.55 73.101 0.387 3.81 8 71.9 19.0
262 11 2 1 36.588 73.177 0.387 3.8 8 100.2 36.9
263 5 1 7 36.938 73.876 0.39 3.73 8 84.1 25.5
264 9 3 1 36.942 73.885 0.39 3.73 8 68.4 16.9
265 1 4 3 36.993 73.987 0.391 3.72 8 22.3 1.8
266 1 2 7 37.15 74.3 0.392 3.69 8 63.5 14.4
267 11 0 4 37.22 74.441 0.393 3.68 4 72.0 9.2
268 6 0 7 37.27 74.54 0.393 3.67 4 57.4 5.8
269 4 4 2 37.27 74.54 0.393 3.67 8 47.8 8.1
270 8 2 5 37.272 74.545 0.393 3.67 8 104.6 38.8
271 12 1 2 37.285 74.57 0.393 3.67 8 30.8 3.4
272 6 2 6 37.333 74.667 0.394 3.66 8 71.5 18.0
273 2 4 3 37.395 74.791 0.394 3.65 8 22.5 1.8
274 5 4 1 37.436 74.872 0.395 3.64 8 65.4 15.0
275 8 3 3 37.438 74.876 0.395 3.64 8 4.3 0.1
276 10 0 5 37.526 75.052 0.395 3.62 4 63.3 7.0
277 2 2 7 37.552 75.103 0.396 3.62 8 7.7 0.2
278 11 2 2 37.63 75.259 0.396 3.61 8 34.4 4.1
279 0 0 8 37.645 75.29 0.396 3.6 2 135.7 16.0
280 8 1 6 37.657 75.314 0.397 3.6 8 44.9 7.0
281 5 3 5 37.757 75.515 0.397 3.58 8 104.1 37.5
282 1 0 8 37.779 75.557 0.398 3.58 4 33.9 2.0
283 7 3 4 37.853 75.706 0.398 3.57 8 19.5 1.3
284 12 0 3 37.874 75.748 0.399 3.56 4 34.9 2.1
285 9 3 2 37.98 75.96 0.399 3.55 8 113.1 43.8
286 3 4 3 38.062 76.124 0.4 3.53 8 12.8 0.6
287 2 0 8 38.178 76.356 0.401 3.51 4 127.2 27.5
288 3 2 7 38.217 76.435 0.402 3.51 8 26.6 2.4
289 1 3 6 38.35 76.7 0.403 3.49 8 53.1 9.5
290 11 1 4 38.357 76.714 0.403 3.49 8 30.4 3.1
291 6 1 7 38.406 76.812 0.403 3.48 8 52.7 9.4
292 13 0 1 38.446 76.891 0.404 3.47 4 39.0 2.6
293 5 4 2 38.469 76.938 0.404 3.47 8 141.0 66.7
294 6 4 0 38.555 77.111 0.405 3.46 4 116.8 22.8
295 10 1 5 38.659 77.319 0.405 3.44 8 51.4 8.8
296 2 3 6 38.747 77.495 0.406 3.43 8 7.6 0.2
297 9 0 6 38.783 77.565 0.407 3.42 4 20.1 0.7
298 3 0 8 38.84 77.68 0.407 3.41 4 7.9 0.1
299 6 4 1 38.898 77.795 0.408 3.4 8 38.6 4.9
300 1 1 8 38.91 77.819 0.408 3.4 8 20.8 1.4
301 10 2 4 38.963 77.925 0.408 3.39 8 92.9 28.3
302 4 4 3 38.989 77.979 0.408 3.39 8 13.9 0.6
303 7 0 7 38.998 77.996 0.408 3.39 4 51.3 4.3
304 12 1 3 39.004 78.008 0.409 3.39 8 7.7 0.2
305 7 2 6 39.06 78.121 0.409 3.38 8 27.2 2.4
306 10 3 0 39.126 78.252 0.41 3.37 4 154.2 38.7
307 4 2 7 39.144 78.287 0.41 3.37 8 37.5 4.6
308 6 3 5 39.215 78.43 0.41 3.36 8 68.1 15.1
309 0 4 4 39.268 78.535 0.411 3.35 4 64.9 6.8
310 2 1 8 39.305 78.611 0.411 3.35 8 4.1 0.1
311 12 2 0 39.307 78.613 0.411 3.35 4 5.1 0.0
312 11 2 3 39.344 78.688 0.412 3.34 8 85.8 23.8
313 1 4 4 39.399 78.798 0.412 3.33 8 54.7 9.6
314 3 3 6 39.407 78.814 0.412 3.33 8 18.1 1.1
315 10 3 1 39.467 78.933 0.413 3.32 8 111.3 39.8
316 13 0 2 39.47 78.941 0.413 3.32 4 12.8 0.3
317 9 2 5 39.527 79.054 0.413 3.32 8 120.1 46.2
318 13 1 1 39.571 79.142 0.414 3.31 8 30.8 3.0
319 12 2 1 39.647 79.294 0.414 3.3 8 3.6 0.0
320 9 3 3 39.69 79.379 0.415 3.29 8 10.5 0.4
321 4 0 8 39.762 79.524 0.415 3.29 4 19.1 0.6
322 2 4 4 39.794 79.587 0.415 3.28 8 42.5 5.7
323 8 3 4 39.835 79.671 0.416 3.28 8 44.7 6.3
324 9 1 6 39.905 79.81 0.416 3.27 8 19.9 1.3
325 6 4 2 39.919 79.838 0.417 3.26 8 48.3 7.4
326 3 1 8 39.962 79.925 0.417 3.26 8 28.2 2.5
327 7 1 7 40.119 80.238 0.418 3.24 8 63.5 12.6
328 5 4 3 40.173 80.345 0.419 3.23 8 11.9 0.4
329 12 0 4 40.263 80.527 0.42 3.22 4 50.5 4.0
330 11 0 5 40.3 80.601 0.42 3.22 4 36.9 2.1
331 4 3 6 40.325 80.651 0.42 3.21 8 3.6 0.0
332 5 2 7 40.325 80.651 0.42 3.21 8 121.1 45.6
333 3 4 4 40.448 80.897 0.421 3.2 8 22.5 1.6
334 10 3 2 40.484 80.969 0.421 3.2 8 12.8 0.5
335 13 1 2 40.588 81.176 0.422 3.18 8 39.8 4.9
336 7 4 1 40.605 81.209 0.422 3.18 8 33.7 3.5
337 12 2 2 40.663 81.327 0.423 3.18 8 5.2 0.1
338 4 1 8 40.878 81.755 0.425 3.15 8 24.0 1.8
339 7 3 5 40.919 81.837 0.425 3.15 8 64.1 12.5
340 5 0 8 40.939 81.879 0.425 3.14 4 64.6 6.3
341 8 0 7 40.965 81.93 0.426 3.14 4 53.1 4.3
342 8 2 6 41.027 82.053 0.426 3.14 8 9.9 0.3
343 13 0 3 41.163 82.326 0.427 3.12 4 42.1 2.7
344 10 0 6 41.273 82.547 0.428 3.11 4 13.8 0.3
345 4 4 4 41.361 82.723 0.429 3.1 8 35.0 3.7
346 12 1 4 41.376 82.752 0.429 3.1 8 14.4 0.6
347 11 1 5 41.413 82.825 0.429 3.09 8 30.8 2.8
348 5 3 6 41.499 82.998 0.43 3.09 8 22.9 1.6
349 6 4 3 41.607 83.215 0.431 3.08 8 75.9 17.1
350 7 4 2 41.616 83.232 0.431 3.07 8 19.3 1.1
351 14 0 0 41.647 83.293 0.431 3.07 2 9.8 0.1
352 11 2 4 41.711 83.422 0.432 3.07 8 3.8 0.0
353 6 2 7 41.759 83.519 0.432 3.06 8 84.3 21.0
354 14 0 1 41.983 83.965 0.434 3.04 4 35.9 1.9
355 10 2 5 42.008 84.015 0.434 3.04 8 1.9 0.0
356 5 1 8 42.048 84.097 0.435 3.03 8 26.5 2.1
357 9 3 4 42.053 84.105 0.435 3.03 8 24.3 1.7
358 8 1 7 42.074 84.147 0.435 3.03 8 61.3 11.0
359 0 2 8 42.123 84.247 0.435 3.03 4 51.0 3.8
360 10 3 3 42.168 84.336 0.436 3.02 8 50.1 7.3
361 11 3 1 42.208 84.415 0.436 3.02 8 3.3 0.0
362 8 4 0 42.22 84.44 0.436 3.02 4 122.8 22.0
363 1 2 8 42.253 84.506 0.436 3.02 8 16.0 0.8
364 13 1 3 42.271 84.542 0.437 3.01 8 12.4 0.4
365 12 2 3 42.346 84.692 0.437 3.01 8 32.5 3.1
366 6 0 8 42.369 84.739 0.437 3.01 4 62.5 5.7
367 10 1 6 42.381 84.762 0.438 3.0 8 83.1 20.0
368 1 4 5 42.437 84.874 0.438 3.0 8 19.2 1.1
369 5 4 4 42.53 85.06 0.439 2.99 8 86.9 21.8
370 8 4 1 42.555 85.111 0.439 2.99 8 60.4 10.5
371 0 3 7 42.619 85.239 0.44 2.98 4 73.2 7.7
372 2 2 8 42.642 85.284 0.44 2.98 8 33.4 3.2
373 1 3 7 42.749 85.498 0.441 2.97 8 0.2 0.0
374 14 1 0 42.753 85.505 0.441 2.97 4 147.8 31.4
375 2 4 5 42.826 85.651 0.441 2.97 8 55.0 8.7
376 8 3 5 42.867 85.734 0.442 2.96 8 40.4 4.7
377 13 2 1 42.903 85.807 0.442 2.96 8 20.5 1.2
378 6 3 6 42.926 85.852 0.442 2.96 8 1.7 0.0
379 14 0 2 42.988 85.977 0.443 2.95 4 22.2 0.7
380 14 1 1 43.087 86.175 0.443 2.95 8 1.2 0.0
381 2 3 7 43.137 86.274 0.444 2.94 8 62.4 11.1
382 9 0 7 43.172 86.343 0.444 2.94 4 71.4 7.2
383 11 3 2 43.213 86.425 0.444 2.94 8 64.2 11.7
384 9 2 6 43.233 86.465 0.445 2.94 8 34.9 3.5
385 3 2 8 43.289 86.578 0.445 2.93 8 14.3 0.6
386 12 0 5 43.289 86.579 0.445 2.93 4 74.4 7.8
387 7 4 3 43.293 86.585 0.445 2.93 8 17.3 0.8
388 7 2 7 43.444 86.887 0.446 2.92 8 1.8 0.0
389 3 4 5 43.473 86.945 0.447 2.92 8 41.5 4.8
390 6 1 8 43.473 86.946 0.447 2.92 8 90.9 23.3
391 13 0 4 43.511 87.023 0.447 2.92 4 0.4 0.0
392 1 0 9 43.532 87.063 0.447 2.92 4 68.6 6.6
393 8 4 2 43.56 87.119 0.447 2.91 8 56.4 9.0
394 3 3 7 43.784 87.567 0.449 2.9 8 36.0 3.6
395 13 2 2 43.907 87.814 0.45 2.89 8 17.9 0.9
396 2 0 9 43.919 87.838 0.45 2.89 4 58.1 4.7
397 6 4 4 43.953 87.906 0.451 2.89 8 9.6 0.3
398 11 0 6 43.995 87.989 0.451 2.88 4 43.7 2.7
399 7 0 8 44.051 88.102 0.451 2.88 4 76.3 8.1
400 14 1 2 44.091 88.181 0.452 2.88 8 38.9 4.2
401 4 2 8 44.194 88.387 0.452 2.87 8 115.0 36.7
402 0 5 1 44.202 88.404 0.453 2.87 4 19.9 0.5
403 9 1 7 44.273 88.547 0.453 2.87 8 98.9 27.1
404 1 5 1 44.331 88.662 0.454 2.86 8 21.4 1.3
405 4 4 5 44.377 88.754 0.454 2.86 8 18.6 1.0
406 2 5 0 44.384 88.769 0.454 2.86 4 8.9 0.1
407 12 1 5 44.391 88.782 0.454 2.86 8 17.9 0.9
408 0 1 9 44.504 89.007 0.455 2.85 4 27.2 1.0
409 10 3 4 44.51 89.021 0.455 2.85 8 15.4 0.7
410 3 0 9 44.565 89.13 0.455 2.85 4 32.6 1.5
411 7 3 6 44.606 89.212 0.456 2.85 8 33.4 3.1
412 13 1 4 44.613 89.226 0.456 2.85 8 15.1 0.6
413 1 1 9 44.633 89.266 0.456 2.85 8 101.9 28.6
414 14 0 3 44.66 89.32 0.456 2.85 4 85.7 10.1
415 12 2 4 44.687 89.375 0.456 2.84 8 38.9 4.2
416 4 3 7 44.688 89.375 0.456 2.84 8 9.4 0.2
417 2 5 1 44.718 89.437 0.457 2.84 8 17.8 0.9
418 11 2 5 44.724 89.448 0.457 2.84 8 65.8 11.9
419 9 4 1 44.753 89.506 0.457 2.84 8 29.3 2.4
420 12 3 0 44.847 89.694 0.458 2.84 4 15.1 0.3
421 11 3 3 44.884 89.767 0.458 2.83 8 5.9 0.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 1 0 1 5.158 10.316 8.56828 26.7 2.5 2.6 5.6
2 2 0 0 5.447 10.895 8.1139 24.1 2.3 2.3 5.6
3 0 0 2 8.783 17.566 5.04465 156.8 14.8 15.0 5.6
4 0 1 1 9.105 18.209 4.86793 47.0 4.4 4.5 5.6
5 1 0 2 9.201 18.402 4.81726 40.1 3.8 3.8 5.6
6 3 0 1 9.298 18.597 4.76732 21.5 2.0 2.0 5.6
7 1 1 1 9.509 19.018 4.66266 47.2 4.5 4.5 5.6
8 2 0 2 10.358 20.716 4.28414 29.8 2.8 2.8 5.6
9 2 1 1 10.634 21.267 4.17431 17.8 1.7 1.7 5.6
10 4 0 0 10.945 21.89 4.05695 73.0 6.9 7.0 5.6
11 4 0 1 11.809 23.617 3.76405 84.8 8.0 8.1 5.6
12 3 0 2 12.051 24.103 3.68928 57.7 5.5 5.5 5.6
13 3 1 1 12.291 24.582 3.61844 290.9 27.5 27.7 5.6
14 1 0 3 13.527 27.054 3.29312 11.6 1.1 1.1 5.6
15 4 1 0 13.596 27.192 3.27677 11.0 1.0 1.0 5.6
16 4 0 2 14.102 28.204 3.16145 82.2 7.8 7.8 5.6
17 4 1 1 14.31 28.619 3.11653 36.6 3.5 3.5 5.6
18 2 0 3 14.355 28.711 3.1068 45.4 4.3 4.3 5.6
19 5 0 1 14.437 28.873 3.08964 141.0 13.3 13.4 5.6
20 3 1 2 14.513 29.027 3.07369 44.0 4.2 4.2 5.6
21 0 1 3 15.528 31.056 2.8773 1057.1 100.0 100.0 5.6
22 1 1 3 15.776 31.553 2.83311 100.2 9.5 9.5 5.6
23 0 2 0 16.093 32.186 2.7788 397.5 37.6 37.6 5.6
24 5 0 2 16.392 32.784 2.72946 381.8 36.1 36.1 5.6
25 2 1 3 16.502 33.003 2.71184 152.6 14.4 14.4 5.6
26 5 1 1 16.574 33.147 2.7004 879.3 83.2 83.0 5.6
27 2 2 0 17.038 34.076 2.6289 197.5 18.7 18.6 5.7
28 6 0 1 17.149 34.298 2.6124 25.6 2.4 2.4 5.7
29 3 1 3 17.651 35.303 2.54028 180.1 17.0 17.0 5.7
30 0 0 4 17.781 35.563 2.52233 41.1 3.9 3.9 5.7
31 1 0 4 18.002 36.004 2.4924 48.1 4.5 4.5 5.7
32 5 1 2 18.325 36.65 2.44994 16.3 1.5 1.5 5.7
33 0 2 2 18.45 36.899 2.43396 74.9 7.1 7.1 5.7
34 1 2 2 18.664 37.327 2.40704 222.2 21.0 20.9 5.7
35 6 0 2 18.854 37.707 2.38366 11.5 1.1 1.1 5.7
36 6 1 1 19.014 38.029 2.36423 43.2 4.1 4.1 5.7
37 4 1 3 19.16 38.32 2.34695 108.9 10.3 10.2 5.7
38 2 2 2 19.293 38.587 2.33133 153.0 14.5 14.4 5.7
39 1 1 4 19.798 39.596 2.27417 30.6 2.9 2.9 5.7
40 7 0 1 19.933 39.867 2.25938 29.8 2.8 2.8 5.7
41 4 2 1 20.155 40.309 2.23559 116.0 11.0 10.9 5.7
42 3 2 2 20.306 40.612 2.21962 65.9 6.2 6.2 5.7
43 4 0 4 21.075 42.151 2.14207 13.6 1.3 1.3 5.7
44 1 2 3 21.266 42.532 2.12374 73.2 6.9 6.8 5.7
45 3 1 4 21.367 42.735 2.11415 30.1 2.8 2.8 5.7
46 6 0 3 21.437 42.873 2.10763 113.4 10.7 10.6 5.7
47 2 2 3 21.833 43.666 2.0712 233.2 22.1 21.8 5.7
48 5 2 1 21.89 43.779 2.06609 183.7 17.4 17.2 5.7
49 8 0 0 22.317 44.634 2.02848 117.5 11.1 11.0 5.7
50 4 1 4 22.667 45.335 1.99875 51.0 4.8 4.8 5.7
51 5 0 4 22.753 45.507 1.9916 107.2 10.1 10.0 5.7
52 8 0 1 22.789 45.577 1.98868 48.4 4.6 4.5 5.7
53 7 1 2 23.02 46.041 1.96974 42.5 4.0 4.0 5.7
54 2 0 5 23.164 46.327 1.95821 42.2 4.0 3.9 5.7
55 5 2 2 23.302 46.604 1.94723 159.2 15.1 14.8 5.7
56 8 1 0 23.843 47.687 1.90552 58.8 5.6 5.5 5.7
57 3 0 5 24.043 48.087 1.8906 14.3 1.3 1.3 5.7
58 8 0 2 24.16 48.32 1.88202 40.2 3.8 3.7 5.7
59 5 1 4 24.258 48.516 1.87485 30.0 2.8 2.8 5.7
60 0 2 4 24.358 48.715 1.86766 13.4 1.3 1.2 5.7
61 1 2 4 24.529 49.058 1.85541 189.4 17.9 17.6 5.7
62 2 1 5 24.649 49.298 1.84692 35.9 3.4 3.3 5.7
63 2 2 4 25.038 50.076 1.82007 22.5 2.1 2.1 5.7
64 2 3 0 25.246 50.491 1.80606 12.3 1.2 1.1 5.8
65 3 2 4 25.869 51.739 1.76539 14.3 1.4 1.3 5.8
66 6 1 4 26.102 52.205 1.75072 41.0 3.9 3.8 5.8
67 3 3 1 26.493 52.986 1.72674 40.8 3.9 3.8 5.8
68 4 1 5 26.635 53.27 1.7182 50.2 4.7 4.6 5.8
69 9 0 2 26.979 53.959 1.69789 37.5 3.6 3.5 5.8
70 9 1 1 27.101 54.202 1.69083 41.2 3.9 3.8 5.8
71 0 0 6 27.263 54.526 1.68155 32.3 3.1 3.0 5.8
72 7 2 2 27.314 54.628 1.67867 79.2 7.5 7.3 5.8
73 1 0 6 27.421 54.843 1.67259 31.7 3.0 2.9 5.8
74 2 0 6 27.892 55.785 1.64656 13.3 1.3 1.2 5.8
75 5 1 5 28.059 56.118 1.63758 130.2 12.3 12.0 5.8
76 0 3 3 28.34 56.681 1.62264 251.8 23.8 23.2 5.8
77 5 2 4 28.414 56.828 1.61877 262.1 24.8 24.1 5.8
78 1 3 3 28.494 56.989 1.61459 19.1 1.8 1.8 5.8
79 3 0 6 28.666 57.332 1.60575 128.3 12.1 11.8 5.8
80 1 1 6 28.746 57.493 1.60163 22.2 2.1 2.0 5.8
81 2 3 3 28.954 57.908 1.59114 27.7 2.6 2.5 5.8
82 5 3 1 29.0 58.0 1.58882 130.2 12.3 12.0 5.8
83 3 2 5 29.524 59.047 1.56312 12.8 1.2 1.2 5.8
84 10 1 0 29.636 59.272 1.55773 94.8 9.0 8.7 5.8
85 4 0 6 29.727 59.454 1.5534 117.6 11.1 10.8 5.8
86 10 1 1 30.023 60.046 1.53949 71.1 6.7 6.5 5.8
87 8 1 4 30.439 60.878 1.52042 19.2 1.8 1.8 5.8
88 6 3 1 30.646 61.292 1.51114 12.5 1.2 1.1 5.8
89 4 3 3 30.748 61.497 1.5066 14.7 1.4 1.3 5.8
90 9 2 1 30.994 61.988 1.49585 15.4 1.5 1.4 5.8
91 9 0 4 31.677 63.354 1.46684 71.2 6.7 6.5 5.9
92 10 0 3 31.805 63.611 1.46153 36.4 3.4 3.3 5.9
93 5 2 5 31.877 63.754 1.4586 21.2 2.0 1.9 5.9
94 7 2 4 31.98 63.96 1.45439 103.1 9.8 9.4 5.9
95 9 2 2 32.117 64.234 1.44884 41.0 3.9 3.7 5.9
96 0 2 6 32.372 64.745 1.43865 62.1 5.9 5.6 5.9
97 1 2 6 32.515 65.03 1.43303 84.9 8.0 7.7 5.9
98 11 0 2 32.957 65.913 1.41595 17.7 1.7 1.6 5.9
99 10 1 3 33.022 66.043 1.41347 12.5 1.2 1.1 5.9
100 4 3 4 33.348 66.696 1.40121 18.9 1.8 1.7 5.9
101 0 1 7 33.511 67.023 1.39517 15.0 1.4 1.4 5.9
102 0 4 0 33.669 67.338 1.3894 279.5 26.4 25.3 5.9
103 2 1 7 34.07 68.14 1.37499 32.8 3.1 3.0 5.9
104 11 1 2 34.151 68.303 1.37212 17.7 1.7 1.6 5.9
105 8 3 0 34.271 68.541 1.36792 15.6 1.5 1.4 5.9
106 5 3 4 34.602 69.204 1.35644 17.3 1.6 1.6 5.9
107 10 2 2 34.785 69.569 1.3502 134.8 12.7 12.1 5.9
108 2 3 5 34.916 69.833 1.34575 12.2 1.2 1.1 5.9
109 9 0 5 34.953 69.906 1.34452 17.3 1.6 1.6 5.9
110 5 2 6 35.85 71.7 1.31523 30.7 2.9 2.8 5.9
111 6 3 4 36.106 72.213 1.30714 15.8 1.5 1.4 5.9
112 12 1 1 36.24 72.48 1.30297 15.2 1.4 1.4 5.9
113 10 2 3 36.547 73.095 1.29353 134.2 12.7 12.0 6.0
114 11 2 1 36.588 73.177 1.29228 36.9 3.5 3.3 6.0
115 5 1 7 36.938 73.876 1.28176 42.4 4.0 3.8 6.0
116 1 2 7 37.15 74.3 1.2755 14.4 1.4 1.3 6.0
117 8 2 5 37.272 74.545 1.27192 56.1 5.3 5.0 6.0
118 6 2 6 37.333 74.667 1.27014 18.0 1.7 1.6 6.0
119 5 4 1 37.436 74.872 1.26717 15.1 1.4 1.3 6.0
120 8 1 6 37.657 75.314 1.26082 27.2 2.6 2.4 6.0
121 5 3 5 37.757 75.515 1.25797 39.5 3.7 3.5 6.0
122 9 3 2 37.98 75.96 1.2517 43.8 4.1 3.9 6.0
123 2 0 8 38.178 76.356 1.2462 27.5 2.6 2.4 6.0
124 1 3 6 38.35 76.7 1.24146 12.6 1.2 1.1 6.0
125 5 4 2 38.469 76.938 1.23821 69.2 6.5 6.2 6.0
126 6 4 0 38.555 77.111 1.23587 22.8 2.2 2.0 6.0
127 10 2 4 38.963 77.925 1.22497 28.9 2.7 2.6 6.0
128 10 3 0 39.126 78.252 1.22067 43.3 4.1 3.8 6.0
129 6 3 5 39.215 78.43 1.21835 15.1 1.4 1.3 6.0
130 11 2 3 39.344 78.688 1.21501 23.8 2.2 2.1 6.0
131 1 4 4 39.399 78.798 1.21357 10.7 1.0 0.9 6.0
132 10 3 1 39.467 78.933 1.21184 40.1 3.8 3.5 6.0
133 9 2 5 39.527 79.054 1.21029 46.2 4.4 4.1 6.0
134 7 1 7 40.119 80.238 1.19539 12.6 1.2 1.1 6.0
135 5 2 7 40.325 80.651 1.19031 47.7 4.5 4.2 6.1
136 7 3 5 40.919 81.837 1.17602 18.9 1.8 1.7 6.1
137 6 4 3 41.607 83.215 1.16002 18.2 1.7 1.6 6.1
138 6 2 7 41.759 83.519 1.15657 21.0 2.0 1.8 6.1
139 8 1 7 42.074 84.147 1.14952 14.8 1.4 1.3 6.1
140 8 4 0 42.22 84.44 1.14629 22.0 2.1 1.9 6.1
141 10 1 6 42.381 84.762 1.14275 28.8 2.7 2.5 6.1
142 5 4 4 42.53 85.06 1.13951 32.3 3.1 2.8 6.1
143 0 3 7 42.619 85.239 1.13758 10.9 1.0 1.0 6.1
144 14 1 0 42.753 85.505 1.13471 31.4 3.0 2.7 6.1
145 2 3 7 43.137 86.274 1.12656 11.1 1.0 1.0 6.1
146 11 3 2 43.213 86.425 1.12497 15.2 1.4 1.3 6.1
147 6 1 8 43.473 86.946 1.11957 28.2 2.7 2.4 6.1
148 8 4 2 43.56 87.119 1.11779 15.6 1.5 1.4 6.1
149 4 2 8 44.194 88.387 1.105 37.2 3.5 3.2 6.2
150 9 1 7 44.273 88.547 1.10342 27.1 2.6 2.3 6.2
151 1 1 9 44.633 89.266 1.09639 46.8 4.4 4.0 6.2
152 11 2 5 44.724 89.448 1.09463 14.3 1.3 1.2 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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