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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MILARITE
11, t-osumilite, DN
(K,Na)Ca(2)[(Be(2)Al)Si(12)O(30)].0.72H(2)O
Hexagonal P 6/mcc Z = 2
R =0.043 NR =1521
1 .6 .12
Ref.Str.:
Hawthorne F.C., Kimata M., Cerny P., Ball N., Rossman G.R.,
Grice J.D. (1991) * Amer. Mineral., 76, 1836-1856
R: sample #33 from Tittling.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.404 alpha = 90.0
b = 10.404 beta = 90.0
c = 13.825 gamma = 120.0
Unit cell volume (cub. angs.) = 1295.97
Molar volume ( cub.cm/mol.) = 390.31
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.241 0.0 Ca = 0.49, Y = 0.08
2 0.3333 0.6667 0.0349 0.0 Na = 0.06, H(2)O = 0.18
3 0.0 0.0 0.25 0.0 K = 1.00
4 0.0817 0.3363 0.1126 0.0 Si = 1.00
5 0.0 0.5 0.25 0.0 Be = 0.76, Al = 0.24
6 0.0946 0.383 0.0 0.0 O = 1.00
7 0.1951 0.2759 0.134 0.0 O = 1.00
8 0.1154 0.4729 0.1804 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.241
2 2 0.3333 0.6667 0.0349
3 3 0.0 0.0 0.25
4 4 0.0817 0.3363 0.1126
5 5 0.0 0.5 0.25
6 6 0.0946 0.383 0.0
7 7 0.1951 0.2759 0.134
8 8 0.1154 0.4729 0.1804
9 4 0.6638 0.7454 0.1126
10 4 0.2546 0.9183 0.1126
11 5 0.5 0.5 0.25
12 5 0.5 0.0 0.25
13 6 0.617 0.7116 0.0
14 6 0.2884 0.9054 0.0
15 7 0.7241 0.9192 0.134
16 7 0.0808 0.8049 0.134
17 8 0.5271 0.6425 0.1804
18 8 0.3575 0.8846 0.1804
19 1 0.6667 0.3333 0.241
20 2 0.6667 0.3333 0.0349
21 4 0.9183 0.6637 0.1126
22 6 0.9054 0.617 0.0
23 7 0.8049 0.7241 0.134
24 8 0.8846 0.5271 0.1804
25 4 0.3362 0.2546 0.1126
26 4 0.7454 0.0817 0.1126
27 6 0.383 0.2884 0.0
28 6 0.7116 0.0946 0.0
29 7 0.2759 0.0808 0.134
30 7 0.9192 0.1951 0.134
31 8 0.4729 0.3575 0.1804
32 8 0.6425 0.1154 0.1804
33 1 0.3333 0.6666 0.741
34 2 0.3333 0.6666 0.5349
35 3 0.0 0.0 0.75
36 4 0.0817 0.7454 0.6126
37 5 0.0 0.5 0.75
38 6 0.0946 0.7116 0.5
39 7 0.1951 0.9192 0.634
40 8 0.1154 0.6425 0.6804
41 4 0.6638 0.9183 0.6126
42 4 0.2546 0.3363 0.6126
43 5 0.5 0.0 0.75
44 5 0.5 0.5 0.75
45 6 0.617 0.9054 0.5
46 6 0.2884 0.383 0.5
47 7 0.7241 0.8049 0.634
48 7 0.0808 0.2759 0.634
49 8 0.5271 0.8846 0.6804
50 8 0.3575 0.4729 0.6804
51 1 0.6667 0.3334 0.741
52 2 0.6667 0.3334 0.5349
53 4 0.9183 0.2546 0.6126
54 6 0.9054 0.2884 0.5
55 7 0.8049 0.0808 0.634
56 8 0.8846 0.3575 0.6804
57 4 0.3362 0.0817 0.6126
58 4 0.7454 0.6637 0.6126
59 6 0.383 0.0946 0.5
60 6 0.7116 0.617 0.5
61 7 0.2759 0.1951 0.634
62 7 0.9192 0.7241 0.634
63 8 0.4729 0.1154 0.6804
64 8 0.6425 0.5271 0.6804
65 1 0.3333 0.6667 0.759
66 2 0.3333 0.6667 0.9651
67 4 0.0817 0.3363 0.8874
68 7 0.1951 0.2759 0.866
69 8 0.1154 0.4729 0.8196
70 4 0.6638 0.7454 0.8874
71 4 0.2546 0.9183 0.8874
72 7 0.7241 0.9192 0.866
73 7 0.0808 0.8049 0.866
74 8 0.5271 0.6425 0.8196
75 8 0.3575 0.8846 0.8196
76 1 0.6667 0.3333 0.759
77 2 0.6667 0.3333 0.9651
78 4 0.9183 0.6637 0.8874
79 7 0.8049 0.7241 0.866
80 8 0.8846 0.5271 0.8196
81 4 0.3362 0.2546 0.8874
82 4 0.7454 0.0817 0.8874
83 7 0.2759 0.0808 0.866
84 7 0.9192 0.1951 0.866
85 8 0.4729 0.3575 0.8196
86 8 0.6425 0.1154 0.8196
87 1 0.3333 0.6666 0.259
88 2 0.3333 0.6666 0.4651
89 4 0.0817 0.7454 0.3874
90 7 0.1951 0.9192 0.366
91 8 0.1154 0.6425 0.3196
92 4 0.6638 0.9183 0.3874
93 4 0.2546 0.3363 0.3874
94 7 0.7241 0.8049 0.366
95 7 0.0808 0.2759 0.366
96 8 0.5271 0.8846 0.3196
97 8 0.3575 0.4729 0.3196
98 1 0.6667 0.3334 0.259
99 2 0.6667 0.3334 0.4651
100 4 0.9183 0.2546 0.3874
101 7 0.8049 0.0808 0.366
102 8 0.8846 0.3575 0.3196
103 4 0.3362 0.0817 0.3874
104 4 0.7454 0.6637 0.3874
105 7 0.2759 0.1951 0.366
106 7 0.9192 0.7241 0.366
107 8 0.4729 0.1154 0.3196
108 8 0.6425 0.5271 0.3196
X-ray density (g/cm cub.) = 2.62
MU (1/cm) = 126.621 Mass attenuation coefficient (cm**2/g) = 48.361
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Y 3.048 6
2.3099 8
2.3106 8
2.3095 8
2.411 8
2.4114 8
2.4119 8
2 Na ,H(2)O 3.6 6
2.7896 6
2.9462 8
2.7901 6
2.7889 6
2.9467 8
2.9459 8
3 K 3.396 12
3.0175 7
3.0174 7
3.0175 7
3.0175 7
3.0174 7
3.0175 7
3.0175 7
3.0174 7
3.0175 7
3.0175 7
3.0174 7
3.0175 7
4 Si 2.268 4
1.6159 6
1.6172 7
1.589 8
1.6185 7
5 Be ,Al 2.484 4
1.6689 8
1.6689 8
1.6689 8
1.6689 8
6 O 3.432 6
2.6329 7
2.6343 8
2.6489 7
2.6329 7
2.6343 8
2.6489 7
7 O 3.432 8
2.6329 6
2.6456 8
2.6488 6
2.5559 7
2.5561 7
2.6518 8
3.4207 7
3.1901 8
8 O 3.432 8
2.6343 6
2.6456 7
2.7273 8
2.6518 7
2.6109 8
3.19 7
3.1699 8
2.8334 8
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 0 4.904 9.808 0.055 270.67 6 9.7 9.1
2 0 0 2 6.398 12.796 0.072 158.1 2 148.5 415.4
3 1 0 2 8.074 16.148 0.091 98.44 12 41.6 121.7
4 1 1 0 8.515 17.031 0.096 88.28 6 93.8 277.7
5 2 0 0 9.845 19.69 0.111 65.49 6 112.7 297.2
6 1 1 2 10.68 21.359 0.12 55.33 12 131.3 681.2
7 2 0 2 11.776 23.552 0.132 45.13 12 70.2 159.0
8 0 0 4 12.877 25.755 0.145 37.41 2 208.4 193.4
9 2 1 0 13.073 26.145 0.147 36.24 12 12.5 4.0
10 2 1 1 13.471 26.941 0.151 34.01 24 143.7 1003.7
11 1 0 4 13.81 27.62 0.155 32.26 12 98.5 223.6
12 2 1 2 14.605 29.209 0.164 28.64 24 29.0 34.3
13 3 0 0 14.861 29.722 0.166 27.59 6 193.8 370.2
14 1 1 4 15.52 31.04 0.174 25.14 12 224.1 901.9
15 3 0 2 16.238 32.477 0.182 22.8 12 31.1 15.8
16 2 0 4 16.314 32.628 0.182 22.57 12 123.1 244.5
17 2 1 3 16.335 32.669 0.183 22.51 24 69.7 156.3
18 2 2 0 17.226 34.453 0.192 20.05 6 152.9 167.5
19 3 1 0 17.953 35.906 0.2 18.32 12 70.3 64.7
20 3 1 1 18.254 36.509 0.203 17.67 24 71.9 130.3
21 2 2 2 18.446 36.893 0.205 17.26 12 92.4 105.3
22 2 1 4 18.514 37.028 0.206 17.13 24 10.0 2.4
23 3 1 2 19.133 38.266 0.213 15.93 24 5.2 0.6
24 0 0 6 19.53 39.06 0.217 15.22 2 1.5 0.0
25 3 0 4 19.863 39.726 0.221 14.66 12 58.9 36.4
26 4 0 0 19.996 39.993 0.222 14.44 6 44.0 10.0
27 1 0 6 20.185 40.371 0.224 14.14 12 17.4 3.1
28 3 1 3 20.527 41.053 0.228 13.62 24 53.6 55.8
29 2 1 5 21.029 42.058 0.233 12.91 24 18.9 6.6
30 4 0 2 21.079 42.159 0.233 12.84 12 14.1 1.8
31 1 1 6 21.446 42.892 0.237 12.35 12 87.5 67.6
32 2 2 4 21.755 43.51 0.241 11.96 12 66.4 37.7
33 3 2 0 21.879 43.758 0.242 11.81 12 38.0 12.2
34 2 0 6 22.054 44.109 0.244 11.6 12 22.2 4.1
35 3 2 1 22.135 44.27 0.245 11.5 24 52.3 45.0
36 3 1 4 22.357 44.713 0.247 11.25 24 96.2 148.8
37 3 2 2 22.889 45.778 0.252 10.67 24 19.7 5.9
38 4 1 0 23.064 46.129 0.254 10.48 12 139.5 145.8
39 4 1 1 23.31 46.62 0.257 10.23 24 53.9 42.5
40 2 1 6 23.805 47.61 0.262 9.76 24 20.2 5.7
41 4 1 2 24.036 48.071 0.264 9.55 24 115.4 181.7
42 4 0 4 24.09 48.181 0.265 9.5 12 22.8 3.5
43 3 2 3 24.105 48.211 0.265 9.48 24 38.0 19.5
44 3 1 5 24.549 49.099 0.27 9.1 24 116.9 177.7
45 3 0 6 24.92 49.839 0.274 8.79 12 116.4 85.1
46 4 1 3 25.21 50.42 0.276 8.57 24 2.1 0.1
47 5 0 0 25.306 50.612 0.277 8.49 6 205.1 127.6
48 3 2 4 25.735 51.469 0.282 8.17 24 13.1 2.0
49 5 0 2 26.215 52.43 0.287 7.84 12 9.5 0.5
50 3 3 0 26.374 52.747 0.288 7.73 6 35.3 3.4
51 0 0 8 26.47 52.94 0.289 7.66 2 315.7 90.9
52 2 2 6 26.526 53.053 0.29 7.63 12 142.3 110.4
53 4 1 4 26.79 53.58 0.293 7.46 24 105.1 117.7
54 2 1 7 26.799 53.597 0.293 7.45 24 26.2 7.3
55 4 2 0 26.896 53.792 0.294 7.39 12 43.3 9.9
56 1 0 8 26.991 53.983 0.295 7.33 12 62.7 20.6
57 3 1 6 27.047 54.093 0.295 7.3 24 8.1 0.7
58 4 2 1 27.116 54.232 0.296 7.26 24 99.6 102.9
59 3 3 2 27.257 54.514 0.297 7.17 12 70.2 25.2
60 3 2 5 27.727 55.455 0.302 6.9 24 22.7 5.1
61 4 2 2 27.768 55.536 0.302 6.87 24 35.3 12.2
62 1 1 8 28.014 56.028 0.305 6.74 12 30.0 4.3
63 5 1 0 28.424 56.848 0.309 6.52 12 5.9 0.2
64 2 0 8 28.516 57.032 0.31 6.47 12 104.1 50.1
65 4 0 6 28.569 57.138 0.31 6.44 12 54.9 13.9
66 5 1 1 28.636 57.272 0.311 6.41 24 28.6 7.5
67 4 1 5 28.732 57.465 0.312 6.36 24 41.8 15.9
68 5 0 4 28.82 57.64 0.313 6.32 12 79.3 28.4
69 4 2 3 28.833 57.667 0.313 6.31 24 42.4 16.2
70 5 1 2 29.266 58.531 0.317 6.1 24 42.0 15.4
71 3 3 4 29.801 59.602 0.323 5.86 12 144.9 87.9
72 3 1 7 29.809 59.619 0.323 5.86 24 3.4 0.1
73 2 1 8 29.989 59.978 0.324 5.78 24 17.8 2.6
74 3 2 6 30.041 60.082 0.325 5.76 24 44.1 16.0
75 4 2 4 30.284 60.569 0.327 5.65 24 7.7 0.5
76 5 1 3 30.297 60.594 0.327 5.65 24 49.9 20.1
77 6 0 0 30.86 61.72 0.333 5.42 6 16.0 0.5
78 3 0 8 30.947 61.895 0.334 5.39 12 148.3 84.7
79 4 1 6 30.998 61.996 0.334 5.37 24 7.0 0.4
80 4 3 0 31.333 62.667 0.338 5.24 12 42.1 6.6
81 4 3 1 31.533 63.067 0.339 5.17 24 38.1 10.7
82 6 0 2 31.662 63.324 0.341 5.12 12 131.7 63.5
83 5 1 4 31.707 63.415 0.341 5.11 24 16.2 1.9
84 4 2 5 32.091 64.183 0.345 4.98 24 108.6 83.9
85 4 3 2 32.129 64.257 0.345 4.96 24 24.5 4.3
86 5 2 0 32.269 64.537 0.347 4.92 12 215.0 162.4
87 2 2 8 32.354 64.707 0.347 4.89 12 155.1 84.0
88 5 2 1 32.465 64.93 0.348 4.85 24 54.7 20.8
89 3 2 7 32.644 65.289 0.35 4.79 24 43.4 12.9
90 3 1 8 32.815 65.63 0.352 4.74 24 30.3 6.2
91 5 0 6 32.864 65.729 0.352 4.73 12 0.1 0.0
92 5 2 2 33.052 66.103 0.354 4.67 24 26.5 4.7
93 4 3 3 33.108 66.216 0.355 4.65 24 49.7 16.4
94 2 1 9 33.374 66.748 0.357 4.57 24 61.7 24.9
95 5 1 5 33.471 66.943 0.358 4.55 24 35.9 8.4
96 4 1 7 33.56 67.119 0.359 4.52 24 63.5 26.0
97 3 3 6 33.777 67.553 0.361 4.46 12 82.3 21.6
98 0 0 10 33.86 67.72 0.362 4.44 2 65.4 2.3
99 6 0 4 34.005 68.01 0.363 4.4 12 164.8 85.4
100 5 2 3 34.017 68.034 0.363 4.39 24 22.9 3.3
101 6 1 0 34.097 68.194 0.364 4.37 12 29.6 2.7
102 4 0 8 34.18 68.36 0.365 4.35 12 37.1 4.3
103 4 2 6 34.228 68.457 0.365 4.34 24 25.7 4.1
104 6 1 1 34.289 68.577 0.366 4.32 24 67.0 27.7
105 1 0 10 34.311 68.622 0.366 4.32 12 1.7 0.0
106 4 3 4 34.455 68.911 0.367 4.28 24 4.0 0.1
107 6 1 2 34.86 69.719 0.371 4.18 24 3.2 0.1
108 1 1 10 35.205 70.41 0.374 4.1 12 125.6 46.2
109 5 2 4 35.348 70.695 0.376 4.06 24 50.8 15.0
110 3 2 8 35.52 71.039 0.377 4.02 24 41.5 9.9
111 5 1 6 35.567 71.134 0.378 4.01 24 1.5 0.0
112 2 0 10 35.648 71.297 0.378 4.0 12 33.8 3.3
113 6 1 3 35.802 71.604 0.38 3.96 24 35.5 7.1
114 3 1 9 36.058 72.117 0.382 3.91 24 148.3 122.8
115 4 3 5 36.153 72.305 0.383 3.89 24 2.6 0.0
116 4 4 0 36.32 72.64 0.384 3.85 6 12.9 0.2
117 4 1 8 36.401 72.801 0.385 3.84 24 10.3 0.6
118 4 2 7 36.676 73.352 0.388 3.78 24 48.4 12.7
119 5 3 0 36.758 73.516 0.388 3.77 12 58.7 9.3
120 7 0 0 36.758 73.516 0.388 3.77 6 138.9 25.9
121 5 3 1 36.943 73.886 0.39 3.73 24 19.9 2.1
122 2 1 10 36.965 73.93 0.39 3.73 24 42.8 9.7
123 5 2 5 37.028 74.055 0.391 3.71 24 2.4 0.0
124 4 4 2 37.063 74.125 0.391 3.71 12 86.7 19.9
125 6 1 4 37.105 74.21 0.392 3.7 24 53.6 15.2
126 5 3 2 37.497 74.994 0.395 3.63 24 12.2 0.8
127 7 0 2 37.497 74.994 0.395 3.63 12 16.8 0.7
128 6 0 6 37.753 75.507 0.397 3.59 12 67.4 11.6
129 3 0 10 37.833 75.666 0.398 3.57 12 3.3 0.0
130 5 1 7 37.979 75.957 0.399 3.55 24 3.0 0.0
131 6 2 0 38.06 76.119 0.4 3.53 12 86.2 18.7
132 5 0 8 38.139 76.278 0.401 3.52 12 73.6 13.6
133 4 3 6 38.185 76.37 0.401 3.51 24 21.2 2.3
134 6 2 1 38.243 76.485 0.402 3.5 24 96.0 46.2
135 5 3 3 38.414 76.828 0.403 3.48 24 30.2 4.5
136 3 2 9 38.664 77.328 0.406 3.44 24 2.5 0.0
137 6 1 5 38.756 77.512 0.406 3.43 24 94.3 43.5
138 6 2 2 38.79 77.58 0.407 3.42 24 41.0 8.2
139 3 3 8 38.998 77.996 0.408 3.39 12 21.2 1.1
140 5 2 6 39.044 78.088 0.409 3.38 24 125.6 76.3
141 2 2 10 39.122 78.245 0.41 3.37 12 93.0 20.8
142 4 4 4 39.26 78.52 0.411 3.35 12 208.3 103.9
143 4 2 8 39.425 78.851 0.412 3.33 24 69.6 23.1
144 4 1 9 39.52 79.039 0.413 3.32 24 47.8 10.9
145 3 1 10 39.55 79.099 0.413 3.31 24 29.8 4.2
146 5 3 4 39.686 79.373 0.415 3.29 24 9.7 0.4
147 7 0 4 39.686 79.373 0.415 3.29 12 78.2 14.4
148 6 2 3 39.698 79.396 0.415 3.29 24 102.4 49.4
149 7 1 0 40.199 80.397 0.419 3.23 12 37.8 3.3
150 7 1 1 40.379 80.758 0.421 3.21 24 18.6 1.6
151 4 3 7 40.543 81.087 0.422 3.19 24 2.3 0.0
152 5 1 8 40.701 81.401 0.423 3.17 24 22.0 2.2
153 6 1 6 40.746 81.492 0.424 3.17 24 10.6 0.5
154 2 1 11 40.79 81.58 0.424 3.16 24 76.2 26.2
155 4 0 10 40.824 81.648 0.424 3.16 12 40.2 3.7
156 7 1 2 40.919 81.837 0.425 3.15 24 37.8 6.4
157 6 2 4 40.96 81.919 0.426 3.14 24 67.7 20.6
158 5 3 5 41.307 82.615 0.428 3.11 24 37.8 6.4
159 5 2 7 41.389 82.779 0.429 3.1 24 42.6 8.0
160 7 1 3 41.815 83.631 0.433 3.06 24 37.0 6.0
161 5 4 0 41.89 83.78 0.433 3.05 12 13.7 0.4
162 0 0 12 41.959 83.918 0.434 3.04 2 17.3 0.1
163 5 4 1 42.069 84.138 0.435 3.03 24 37.6 6.1
164 3 2 10 42.09 84.18 0.435 3.03 24 33.3 4.8
165 1 0 12 42.38 84.759 0.438 3.0 12 45.0 4.4
166 4 2 9 42.481 84.962 0.438 3.0 24 111.5 53.2
167 6 2 5 42.571 85.142 0.439 2.99 24 54.4 12.6
168 5 4 2 42.605 85.209 0.439 2.99 24 32.9 4.6
169 6 3 0 42.731 85.462 0.44 2.98 12 43.7 4.1
170 6 0 8 42.808 85.617 0.441 2.97 12 18.7 0.7
171 4 4 6 42.853 85.707 0.441 2.97 12 45.0 4.3
172 6 3 1 42.91 85.819 0.442 2.96 24 32.5 4.5
173 4 1 10 42.931 85.861 0.442 2.96 24 68.1 19.6
174 7 1 4 43.065 86.131 0.443 2.95 24 93.4 36.7
175 6 1 7 43.072 86.145 0.443 2.95 24 46.4 9.1
176 8 0 0 43.151 86.302 0.444 2.94 6 24.0 0.6
177 1 1 12 43.22 86.439 0.445 2.94 12 86.5 15.7
178 4 3 8 43.228 86.456 0.445 2.94 24 75.6 24.0
179 5 3 6 43.273 86.546 0.445 2.93 24 0.5 0.0
180 7 0 6 43.273 86.546 0.445 2.93 12 20.3 0.9
181 3 1 11 43.317 86.633 0.445 2.93 24 31.0 4.0
182 6 3 2 43.444 86.888 0.446 2.92 24 80.8 27.2
183 5 4 3 43.496 86.992 0.447 2.92 24 7.3 0.2
184 2 0 12 43.639 87.278 0.448 2.91 12 73.1 11.1
185 5 1 9 43.74 87.48 0.449 2.9 24 20.5 1.7
186 8 0 2 43.863 87.727 0.45 2.89 12 25.3 1.3
187 5 2 8 44.067 88.133 0.451 2.88 24 177.1 129.1
188 6 3 3 44.334 88.669 0.454 2.86 24 53.9 11.9
189 7 2 0 44.409 88.817 0.454 2.86 12 12.0 0.3
190 6 2 6 44.53 89.061 0.455 2.85 24 5.0 0.1
191 7 2 1 44.586 89.173 0.456 2.85 24 28.7 3.4
192 5 0 10 44.607 89.215 0.456 2.85 12 58.1 6.9
193 7 1 5 44.668 89.335 0.456 2.85 24 15.1 0.9
194 5 4 4 44.742 89.484 0.457 2.84 24 11.8 0.6
195 2 1 12 44.896 89.792 0.458 2.83 24 11.7 0.6
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 0 0 2 6.398 12.796 6.9125 415.4 41.4 41.8 5.6
2 1 0 2 8.074 16.148 5.48441 121.7 12.1 12.2 5.6
3 1 1 0 8.515 17.031 5.202 277.7 27.7 27.9 5.6
4 2 0 0 9.845 19.69 4.50506 297.2 29.6 29.8 5.6
5 1 1 2 10.68 21.359 4.15651 681.2 67.9 68.2 5.6
6 2 0 2 11.776 23.552 3.77426 159.0 15.8 15.9 5.6
7 0 0 4 12.877 25.755 3.45625 193.4 19.3 19.3 5.6
8 2 1 1 13.471 26.941 3.30666 1003.7 100.0 100.0 5.6
9 1 0 4 13.81 27.62 3.22698 223.6 22.3 22.3 5.6
10 2 1 2 14.605 29.209 3.0549 34.3 3.4 3.4 5.6
11 3 0 0 14.861 29.722 3.00338 370.2 36.9 36.8 5.6
12 1 1 4 15.52 31.04 2.87877 901.9 89.9 89.6 5.6
13 3 0 2 16.238 32.477 2.75461 15.8 1.6 1.6 5.6
14 2 0 4 16.314 32.628 2.74221 400.8 39.9 39.7 5.6
15 2 2 0 17.226 34.453 2.601 167.5 16.7 16.6 5.7
16 3 1 0 17.953 35.906 2.49896 64.7 6.4 6.4 5.7
17 3 1 1 18.254 36.509 2.45911 130.3 13.0 12.9 5.7
18 2 2 2 18.446 36.893 2.43437 105.3 10.5 10.4 5.7
19 3 0 4 19.863 39.726 2.26703 36.4 3.6 3.6 5.7
20 3 1 3 20.527 41.053 2.19676 55.8 5.6 5.5 5.7
21 1 1 6 21.446 42.892 2.10675 67.6 6.7 6.6 5.7
22 2 2 4 21.755 43.51 2.07825 37.7 3.8 3.7 5.7
23 3 2 0 21.879 43.758 2.06707 12.2 1.2 1.2 5.7
24 3 2 1 22.135 44.27 2.04434 45.0 4.5 4.4 5.7
25 3 1 4 22.357 44.713 2.02508 148.8 14.8 14.6 5.7
26 4 1 0 23.064 46.129 1.96617 145.8 14.5 14.3 5.7
27 4 1 1 23.31 46.62 1.94658 42.5 4.2 4.2 5.7
28 4 1 2 24.036 48.071 1.89116 181.7 18.1 17.7 5.7
29 3 2 3 24.105 48.211 1.88602 23.0 2.3 2.2 5.7
30 3 1 5 24.549 49.099 1.85397 177.7 17.7 17.3 5.7
31 3 0 6 24.92 49.839 1.82814 85.1 8.5 8.3 5.7
32 5 0 0 25.306 50.612 1.80203 127.6 12.7 12.4 5.8
33 0 0 8 26.47 52.94 1.72812 90.9 9.1 8.8 5.8
34 2 2 6 26.526 53.053 1.72473 110.4 11.0 10.7 5.8
35 4 1 4 26.79 53.58 1.70899 125.0 12.5 12.1 5.8
36 1 0 8 26.991 53.983 1.69719 20.6 2.1 2.0 5.8
37 4 2 1 27.116 54.232 1.68998 102.9 10.2 10.0 5.8
38 3 3 2 27.257 54.514 1.68189 25.2 2.5 2.4 5.8
39 4 2 2 27.768 55.536 1.65333 12.2 1.2 1.2 5.8
40 2 0 8 28.516 57.032 1.61349 50.1 5.0 4.8 5.8
41 4 0 6 28.569 57.138 1.61073 13.9 1.4 1.3 5.8
42 4 1 5 28.732 57.465 1.60236 15.9 1.6 1.5 5.8
43 5 0 4 28.82 57.64 1.59788 44.5 4.4 4.3 5.8
44 5 1 2 29.266 58.531 1.57566 15.4 1.5 1.5 5.8
45 3 3 4 29.801 59.602 1.54988 88.0 8.8 8.5 5.8
46 3 2 6 30.041 60.082 1.53866 16.0 1.6 1.5 5.8
47 5 1 3 30.297 60.594 1.52686 20.1 2.0 1.9 5.8
48 3 0 8 30.947 61.895 1.49787 84.7 8.4 8.1 5.8
49 4 3 1 31.533 63.067 1.47283 10.7 1.1 1.0 5.9
50 6 0 2 31.662 63.324 1.46746 63.5 6.3 6.1 5.9
51 4 2 5 32.091 64.183 1.44988 83.9 8.4 8.0 5.9
52 5 2 0 32.269 64.537 1.44278 162.4 16.2 15.5 5.9
53 2 2 8 32.354 64.707 1.43939 84.0 8.4 8.0 5.9
54 5 2 1 32.465 64.93 1.43498 20.8 2.1 2.0 5.9
55 3 2 7 32.644 65.289 1.42797 12.9 1.3 1.2 5.9
56 4 3 3 33.108 66.216 1.4102 16.4 1.6 1.6 5.9
57 2 1 9 33.374 66.748 1.40025 24.9 2.5 2.4 5.9
58 4 1 7 33.56 67.119 1.3934 26.0 2.6 2.5 5.9
59 3 3 6 33.777 67.553 1.3855 21.6 2.1 2.0 5.9
60 6 0 4 34.005 68.01 1.3773 88.7 8.8 8.4 5.9
61 6 1 1 34.289 68.577 1.3673 27.7 2.8 2.6 5.9
62 1 1 10 35.205 70.41 1.33612 46.2 4.6 4.4 5.9
63 5 2 4 35.348 70.695 1.33143 15.0 1.5 1.4 5.9
64 3 1 9 36.058 72.117 1.30864 122.8 12.2 11.6 5.9
65 4 2 7 36.676 73.352 1.28963 12.7 1.3 1.2 6.0
66 7 0 0 36.758 73.516 1.28716 35.2 3.5 3.3 6.0
67 2 1 10 36.965 73.93 1.28097 11.9 1.2 1.1 6.0
68 4 4 2 37.063 74.125 1.27808 19.9 2.0 1.9 6.0
69 6 1 4 37.105 74.21 1.27683 15.2 1.5 1.4 6.0
70 6 0 6 37.753 75.507 1.25809 11.6 1.2 1.1 6.0
71 6 2 0 38.06 76.119 1.24948 18.7 1.9 1.8 6.0
72 5 0 8 38.139 76.278 1.24728 13.6 1.4 1.3 6.0
73 6 2 1 38.243 76.485 1.24441 46.2 4.6 4.3 6.0
74 6 1 5 38.756 77.512 1.23048 43.5 4.3 4.1 6.0
75 5 2 6 39.044 78.088 1.22283 76.3 7.6 7.1 6.0
76 2 2 10 39.122 78.245 1.22077 20.8 2.1 1.9 6.0
77 4 4 4 39.26 78.52 1.21719 103.9 10.4 9.7 6.0
78 4 2 8 39.425 78.851 1.2129 23.1 2.3 2.1 6.0
79 4 1 9 39.52 79.039 1.21048 15.0 1.5 1.4 6.0
80 6 2 3 39.698 79.396 1.20594 63.7 6.4 5.9 6.0
81 2 1 11 40.79 81.58 1.17908 26.2 2.6 2.4 6.1
82 6 2 4 40.96 81.919 1.17505 20.6 2.1 1.9 6.1
83 5 4 1 42.069 84.138 1.14963 10.9 1.1 1.0 6.1
84 4 2 9 42.481 84.962 1.14057 53.2 5.3 4.9 6.1
85 6 2 5 42.571 85.142 1.13862 12.6 1.3 1.2 6.1
86 4 1 10 42.931 85.861 1.13092 24.1 2.4 2.2 6.1
87 7 1 4 43.065 86.131 1.12807 45.8 4.6 4.2 6.1
88 4 3 8 43.228 86.456 1.12465 39.7 4.0 3.6 6.1
89 6 3 2 43.444 86.888 1.12017 27.2 2.7 2.5 6.1
90 2 0 12 43.639 87.278 1.11616 11.1 1.1 1.0 6.2
91 5 2 8 44.067 88.133 1.10753 129.1 12.9 11.7 6.2
92 6 3 3 44.334 88.669 1.10222 11.9 1.2 1.1 6.2
93 5 0 10 44.607 89.215 1.09688 10.2 1.0 0.9 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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