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
8, t-osumilite, DF
K(K,Na)(0.16)Ca(2)[Be(2.19)Al(0.81)]Si(12)O(30)[H(2)O]
Hexagonal P 6/mcc Z = 2
R =0.035 NR =989
21 .5 .1996
Ref.Str.:
Armbruster T., Bermanes V., Wenger M., Oberhasli R. (1989)
* Eur. J. Mineral., 1, 353-362
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.398 alpha = 90.0
b = 10.398 beta = 90.0
c = 13.771 gamma = 120.0
Unit cell volume (cub. angs.) = 1289.42
Molar volume ( cub.cm/mol.) = 388.33
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.25 0.74 K = 1.00
2 0.3333 0.6667 0.25 1.44 Ca = 1.00
3 0.5 0.5 0.25 0.29 Be = 0.77, Al = 0.23
4 0.0812 0.3362 0.1129 0.43 Si = 1.00
5 0.0937 0.3831 0.0 0.98 O = 1.00
6 0.1951 0.276 0.1349 0.89 O = 1.00
7 0.1149 0.4731 0.181 0.62 O = 1.00
8 0.3333 0.6667 0.0 2.4 K = 0.07, Na = 0.07
9 0.3333 0.6667 0.0476 1.0 H(2)O = 0.15, H(2)O = 0.0
10 0.0 0.0 0.0 1.0 K = 0.01, K = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.25
2 2 0.3333 0.6667 0.25
3 3 0.5 0.5 0.25
4 4 0.0812 0.3362 0.1129
5 5 0.0937 0.3831 0.0
6 6 0.1951 0.276 0.1349
7 7 0.1149 0.4731 0.181
8 8 0.3333 0.6667 0.0
9 9 0.3333 0.6667 0.0476
10 10 0.0 0.0 0.0
11 3 0.5 0.0 0.25
12 3 0.0 0.5 0.25
13 4 0.6638 0.7449 0.1129
14 4 0.2551 0.9189 0.1129
15 5 0.6169 0.7106 0.0
16 5 0.2894 0.9063 0.0
17 6 0.724 0.9191 0.1349
18 6 0.0809 0.8049 0.1349
19 7 0.5269 0.6418 0.181
20 7 0.3582 0.8851 0.181
21 2 0.6667 0.3333 0.25
22 4 0.9189 0.6638 0.1129
23 5 0.9063 0.6169 0.0
24 6 0.8049 0.724 0.1349
25 7 0.8851 0.5269 0.181
26 8 0.6667 0.3333 0.0
27 9 0.6667 0.3333 0.0476
28 4 0.3362 0.2551 0.1129
29 4 0.7449 0.0811 0.1129
30 5 0.3831 0.2894 0.0
31 5 0.7106 0.0937 0.0
32 6 0.276 0.0809 0.1349
33 6 0.9191 0.1951 0.1349
34 7 0.4731 0.3582 0.181
35 7 0.6418 0.1149 0.181
36 1 0.0 0.0 0.75
37 2 0.3333 0.6666 0.75
38 3 0.5 0.0 0.75
39 4 0.0812 0.7449 0.6129
40 5 0.0937 0.7106 0.5
41 6 0.1951 0.9191 0.6349
42 7 0.1149 0.6418 0.681
43 8 0.3333 0.6666 0.5
44 9 0.3333 0.6666 0.5476
45 10 0.0 0.0 0.5
46 3 0.5 0.5 0.75
47 3 0.0 0.5 0.75
48 4 0.6638 0.9189 0.6129
49 4 0.2551 0.3362 0.6129
50 5 0.6169 0.9063 0.5
51 5 0.2894 0.3831 0.5
52 6 0.724 0.8049 0.6349
53 6 0.0809 0.276 0.6349
54 7 0.5269 0.8851 0.681
55 7 0.3582 0.4731 0.681
56 2 0.6667 0.3334 0.75
57 4 0.9189 0.2551 0.6129
58 5 0.9063 0.2894 0.5
59 6 0.8049 0.0809 0.6349
60 7 0.8851 0.3582 0.681
61 8 0.6667 0.3334 0.5
62 9 0.6667 0.3334 0.5476
63 4 0.3362 0.0811 0.6129
64 4 0.7449 0.6638 0.6129
65 5 0.3831 0.0937 0.5
66 5 0.7106 0.6169 0.5
67 6 0.276 0.1951 0.6349
68 6 0.9191 0.724 0.6349
69 7 0.4731 0.1149 0.681
70 7 0.6418 0.5269 0.681
71 4 0.0812 0.3362 0.8871
72 6 0.1951 0.276 0.8651
73 7 0.1149 0.4731 0.819
74 9 0.3333 0.6667 0.9524
75 4 0.6638 0.7449 0.8871
76 4 0.2551 0.9189 0.8871
77 6 0.724 0.9191 0.8651
78 6 0.0809 0.8049 0.8651
79 7 0.5269 0.6418 0.819
80 7 0.3582 0.8851 0.819
81 4 0.9189 0.6638 0.8871
82 6 0.8049 0.724 0.8651
83 7 0.8851 0.5269 0.819
84 9 0.6667 0.3333 0.9524
85 4 0.3362 0.2551 0.8871
86 4 0.7449 0.0811 0.8871
87 6 0.276 0.0809 0.8651
88 6 0.9191 0.1951 0.8651
89 7 0.4731 0.3582 0.819
90 7 0.6418 0.1149 0.819
91 4 0.0812 0.7449 0.3871
92 6 0.1951 0.9191 0.3651
93 7 0.1149 0.6418 0.319
94 9 0.3333 0.6666 0.4524
95 4 0.6638 0.9189 0.3871
96 4 0.2551 0.3362 0.3871
97 6 0.724 0.8049 0.3651
98 6 0.0809 0.276 0.3651
99 7 0.5269 0.8851 0.319
100 7 0.3582 0.4731 0.319
101 4 0.9189 0.2551 0.3871
102 6 0.8049 0.0809 0.3651
103 7 0.8851 0.3582 0.319
104 9 0.6667 0.3334 0.4524
105 4 0.3362 0.0811 0.3871
106 4 0.7449 0.6638 0.3871
107 6 0.276 0.1951 0.3651
108 6 0.9191 0.724 0.3651
109 7 0.4731 0.1149 0.319
110 7 0.6418 0.5269 0.319
X-ray density (g/cm cub.) = 2.56
MU (1/cm) = 119.807 Mass attenuation coefficient (cm**2/g) = 46.742
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.396 12
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
3.007 6
2 Ca 3.048 8
2.3539 7
2.7873 9
2.3545 7
2.3535 7
2.3535 7
2.7873 9
2.354 7
2.3544 7
3 Be ,Al 2.484 4
1.656 7
1.656 7
1.656 7
1.656 7
4 Si 2.268 4
1.6151 5
1.6215 6
1.5904 7
1.616 6
5 O 3.432 8
2.6414 6
2.6327 7
2.8259 9
2.6495 6
2.6414 6
2.6327 7
2.8259 9
2.6495 6
6 O 3.432 8
2.6414 5
2.6472 7
2.6494 5
2.5552 6
2.5554 6
2.6493 7
3.3852 6
3.1668 7
7 O 3.432 9
2.6327 5
2.6472 6
2.8307 9
2.7128 7
2.6493 6
2.5862 7
3.1667 6
3.1641 7
2.8096 7
8 K ,Na 3.396 11
2.7488 5
3.2941 7
0.6555 9
2.7492 5
2.7481 5
3.2945 7
3.2937 7
3.2941 7
0.6555 9
3.2945 7
3.2937 7
9 H(2)O,H(2)O 3.6 7
2.8259 5
2.8307 7
2.8263 5
2.8252 5
2.8312 7
2.8303 7
1.311 9
10 K ,K 3.396 12
3.1592 6
3.1592 6
3.1593 6
3.1592 6
3.1592 6
3.1593 6
3.1592 6
3.1592 6
3.1593 6
3.1592 6
3.1592 6
3.1593 6
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 4.907 9.814 0.056 270.35 6 20.8 42.4
2 0 0 2 6.423 12.846 0.073 156.84 2 128.8 313.0
3 1 0 2 8.096 16.191 0.091 97.9 12 30.1 64.0
4 1 1 0 8.52 17.041 0.096 88.17 6 114.4 416.2
5 2 0 0 9.851 19.701 0.111 65.41 6 99.6 234.3
6 1 1 2 10.699 21.398 0.121 55.12 12 107.3 457.7
7 2 0 2 11.795 23.59 0.133 44.98 12 78.2 198.4
8 0 0 4 12.929 25.858 0.145 37.09 2 221.7 219.3
9 2 1 0 13.08 26.161 0.147 36.19 12 2.6 0.2
10 2 1 1 13.481 26.962 0.151 33.95 24 141.2 977.3
11 1 0 4 13.859 27.718 0.155 32.02 12 87.7 177.6
12 2 1 2 14.623 29.246 0.164 28.56 24 18.8 14.6
13 3 0 0 14.87 29.739 0.167 27.56 6 173.6 299.5
14 1 1 4 15.566 31.132 0.174 24.98 12 202.9 742.0
15 3 0 2 16.257 32.514 0.182 22.74 12 9.5 1.5
16 2 0 4 16.359 32.718 0.183 22.44 12 129.7 272.4
17 2 1 3 16.364 32.728 0.183 22.42 24 68.9 153.8
18 2 2 0 17.237 34.473 0.192 20.03 6 127.9 118.3
19 3 1 0 17.964 35.928 0.2 18.3 12 78.9 82.2
20 3 1 1 18.267 36.534 0.203 17.64 24 70.9 128.0
21 2 2 2 18.465 36.931 0.206 17.22 12 71.1 62.8
22 2 1 4 18.557 37.113 0.207 17.04 24 18.0 8.0
23 3 1 2 19.152 38.305 0.213 15.89 24 4.9 0.6
24 0 0 6 19.61 39.219 0.218 15.08 2 18.2 0.6
25 3 0 4 19.905 39.81 0.221 14.59 12 37.4 14.7
26 4 0 0 20.008 40.017 0.222 14.42 6 32.4 5.5
27 1 0 6 20.264 40.527 0.225 14.02 12 23.0 5.4
28 3 1 3 20.555 41.111 0.228 13.58 24 49.5 48.0
29 2 1 5 21.086 42.173 0.234 12.83 24 16.9 5.3
30 4 0 2 21.099 42.198 0.234 12.81 12 21.8 4.4
31 1 1 6 21.522 43.044 0.238 12.25 12 68.4 41.4
32 2 2 4 21.796 43.592 0.241 11.91 12 47.4 19.3
33 3 2 0 21.892 43.784 0.242 11.79 12 27.7 6.5
34 2 0 6 22.129 44.259 0.245 11.51 12 12.6 1.3
35 3 2 1 22.15 44.3 0.245 11.49 24 50.3 41.9
36 3 1 4 22.397 44.795 0.247 11.2 24 83.8 113.6
37 3 2 2 22.91 45.819 0.253 10.64 24 27.4 11.5
38 4 1 0 23.079 46.157 0.254 10.47 12 113.8 97.8
39 4 1 1 23.326 46.652 0.257 10.22 24 49.5 36.1
40 2 1 6 23.878 47.756 0.263 9.69 24 10.3 1.5
41 4 1 2 24.057 48.114 0.265 9.53 24 92.0 116.3
42 4 0 4 24.131 48.261 0.265 9.46 12 13.5 1.3
43 3 2 3 24.134 48.269 0.265 9.46 24 36.6 18.3
44 3 1 5 24.604 49.208 0.27 9.05 24 115.8 175.3
45 3 0 6 24.991 49.982 0.274 8.74 12 94.6 56.5
46 4 1 3 25.239 50.479 0.277 8.54 24 2.4 0.1
47 5 0 0 25.322 50.643 0.278 8.48 6 186.8 106.8
48 3 2 4 25.775 51.55 0.282 8.14 24 1.3 0.0
49 5 0 2 26.237 52.474 0.287 7.82 12 1.2 0.0
50 3 3 0 26.39 52.78 0.289 7.72 6 50.1 7.0
51 0 0 8 26.582 53.164 0.29 7.59 2 287.5 75.5
52 2 2 6 26.596 53.193 0.291 7.58 12 116.7 74.5
53 4 1 4 26.83 53.661 0.293 7.43 24 84.6 76.8
54 2 1 7 26.888 53.776 0.294 7.4 24 24.1 6.2
55 4 2 0 26.913 53.826 0.294 7.38 12 50.1 13.4
56 1 0 8 27.102 54.205 0.296 7.26 12 63.5 21.1
57 3 1 6 27.117 54.233 0.296 7.26 24 0.9 0.0
58 4 2 1 27.134 54.269 0.296 7.24 24 95.9 96.2
59 3 3 2 27.28 54.56 0.298 7.16 12 47.0 11.4
60 3 2 5 27.781 55.562 0.303 6.87 24 23.1 5.3
61 4 2 2 27.791 55.583 0.303 6.86 24 24.5 5.9
62 1 1 8 28.123 56.246 0.306 6.68 12 38.2 7.0
63 5 1 0 28.442 56.884 0.309 6.51 12 15.4 1.1
64 2 0 8 28.625 57.249 0.311 6.42 12 92.6 39.7
65 4 0 6 28.638 57.276 0.311 6.41 12 58.2 15.7
66 5 1 1 28.655 57.311 0.311 6.4 24 25.9 6.2
67 4 1 5 28.786 57.571 0.313 6.34 24 39.2 14.1
68 5 0 4 28.861 57.722 0.313 6.3 12 84.5 32.5
69 4 2 3 28.864 57.729 0.313 6.3 24 42.0 16.0
70 5 1 2 29.29 58.58 0.318 6.09 24 30.5 8.2
71 3 3 4 29.842 59.685 0.323 5.84 12 118.8 59.5
72 3 1 7 29.896 59.792 0.324 5.82 24 6.3 0.3
73 2 1 8 30.096 60.193 0.326 5.73 24 10.9 1.0
74 3 2 6 30.11 60.219 0.326 5.73 24 35.1 10.2
75 4 2 4 30.326 60.651 0.328 5.64 24 12.9 1.3
76 5 1 3 30.329 60.658 0.328 5.63 24 47.3 18.2
77 6 0 0 30.88 61.76 0.333 5.41 6 3.0 0.0
78 3 0 8 31.054 62.107 0.335 5.35 12 131.3 66.5
79 4 1 6 31.067 62.133 0.335 5.34 24 8.8 0.6
80 4 3 0 31.354 62.707 0.338 5.23 12 28.5 3.1
81 4 3 1 31.555 63.11 0.34 5.16 24 37.3 10.3
82 6 0 2 31.688 63.375 0.341 5.11 12 103.3 39.4
83 5 1 4 31.749 63.498 0.342 5.09 24 8.8 0.6
84 4 2 5 32.145 64.29 0.345 4.96 24 102.4 75.0
85 4 3 2 32.155 64.31 0.345 4.95 24 30.4 6.6
86 5 2 0 32.289 64.579 0.347 4.91 12 182.7 118.3
87 2 2 8 32.459 64.918 0.348 4.85 12 132.1 61.1
88 5 2 1 32.488 64.975 0.349 4.84 24 48.9 16.7
89 3 2 7 32.73 65.459 0.351 4.77 24 38.8 10.3
90 3 1 8 32.92 65.84 0.353 4.71 24 32.9 7.4
91 5 0 6 32.933 65.866 0.353 4.71 12 5.9 0.1
92 5 2 2 33.078 66.156 0.354 4.66 24 7.8 0.4
93 4 3 3 33.141 66.283 0.355 4.64 24 46.3 14.3
94 2 1 9 33.501 67.001 0.358 4.54 24 59.5 23.2
95 5 1 5 33.526 67.051 0.359 4.53 24 32.1 6.8
96 4 1 7 33.645 67.29 0.36 4.5 24 57.5 21.5
97 3 3 6 33.845 67.69 0.362 4.44 12 59.4 11.3
98 0 0 10 34.011 68.022 0.363 4.4 2 73.1 2.8
99 6 0 4 34.048 68.096 0.363 4.39 12 137.4 59.8
100 5 2 3 34.051 68.102 0.363 4.39 24 21.7 3.0
101 6 1 0 34.12 68.239 0.364 4.37 12 38.1 4.6
102 4 0 8 34.285 68.569 0.366 4.32 12 40.0 5.0
103 4 2 6 34.297 68.594 0.366 4.32 24 32.7 6.7
104 6 1 1 34.312 68.625 0.366 4.32 24 63.4 25.1
105 1 0 10 34.461 68.923 0.367 4.28 12 5.8 0.1
106 4 3 4 34.498 68.997 0.368 4.27 24 11.3 0.8
107 6 1 2 34.888 69.775 0.371 4.17 24 10.6 0.7
108 1 1 10 35.355 70.71 0.376 4.06 12 100.5 29.6
109 5 2 4 35.391 70.783 0.376 4.05 24 66.3 25.7
110 3 2 8 35.624 71.248 0.378 4.0 24 35.2 7.1
111 5 1 6 35.636 71.272 0.378 4.0 24 8.6 0.4
112 2 0 10 35.798 71.596 0.38 3.96 12 35.4 3.6
113 6 1 3 35.837 71.674 0.38 3.95 24 34.8 6.9
114 3 1 9 36.184 72.368 0.383 3.88 24 138.7 107.8
115 4 3 5 36.208 72.416 0.383 3.88 24 4.5 0.1
116 4 4 0 36.344 72.689 0.385 3.85 6 30.3 1.3
117 4 1 8 36.505 73.01 0.386 3.82 24 3.1 0.1
118 4 2 7 36.761 73.523 0.388 3.77 24 45.9 11.4
119 5 3 0 36.782 73.565 0.389 3.76 12 47.3 6.1
120 7 0 0 36.782 73.565 0.389 3.76 6 119.6 19.4
121 5 3 1 36.969 73.938 0.39 3.73 24 17.9 1.7
122 5 2 5 37.084 74.167 0.391 3.7 24 2.4 0.0
123 4 4 2 37.092 74.185 0.391 3.7 12 61.6 10.2
124 2 1 10 37.114 74.228 0.392 3.7 24 32.8 5.7
125 6 1 4 37.15 74.299 0.392 3.69 24 41.4 9.1
126 5 3 2 37.527 75.055 0.395 3.62 24 3.9 0.1
127 7 0 2 37.527 75.055 0.395 3.62 12 8.0 0.2
128 6 0 6 37.823 75.646 0.398 3.57 12 46.2 5.5
129 3 0 10 37.981 75.963 0.399 3.55 12 11.3 0.3
130 5 1 7 38.065 76.13 0.4 3.53 24 2.8 0.0
131 6 2 0 38.085 76.171 0.4 3.53 12 86.0 18.8
132 5 0 8 38.243 76.487 0.402 3.5 12 63.2 10.1
133 4 3 6 38.255 76.51 0.402 3.5 24 12.3 0.8
134 6 2 1 38.27 76.54 0.402 3.5 24 87.1 38.3
135 5 3 3 38.451 76.902 0.404 3.47 24 26.1 3.4
136 3 2 9 38.789 77.579 0.407 3.42 24 4.0 0.1
137 6 1 5 38.813 77.626 0.407 3.42 24 86.9 37.2
138 6 2 2 38.822 77.643 0.407 3.42 24 44.5 9.8
139 3 3 8 39.103 78.205 0.409 3.37 12 9.0 0.2
140 5 2 6 39.114 78.229 0.41 3.37 24 98.0 46.8
141 2 2 10 39.271 78.542 0.411 3.35 12 72.4 12.7
142 4 4 4 39.306 78.612 0.411 3.35 12 173.5 72.7
143 4 2 8 39.53 79.061 0.413 3.32 24 69.4 23.0
144 4 1 9 39.645 79.29 0.414 3.3 24 39.7 7.5
145 3 1 10 39.698 79.396 0.415 3.29 24 21.2 2.1
146 5 3 4 39.733 79.467 0.415 3.29 24 1.1 0.0
147 7 0 4 39.733 79.467 0.415 3.29 12 78.1 14.5
148 6 2 3 39.736 79.472 0.415 3.29 24 92.7 40.8
149 7 1 0 40.227 80.453 0.419 3.23 12 15.6 0.6
150 7 1 1 40.408 80.816 0.421 3.2 24 16.1 1.2
151 4 3 7 40.631 81.262 0.423 3.18 24 1.2 0.0
152 5 1 8 40.806 81.613 0.424 3.16 24 25.2 2.9
153 6 1 6 40.818 81.636 0.424 3.16 24 3.2 0.0
154 7 1 2 40.952 81.904 0.425 3.14 24 17.3 1.4
155 2 1 11 40.964 81.928 0.426 3.14 24 65.0 19.2
156 4 0 10 40.973 81.946 0.426 3.14 12 42.1 4.0
157 6 2 4 41.008 82.015 0.426 3.14 24 49.3 11.0
158 5 3 5 41.367 82.733 0.429 3.1 24 32.3 4.7
159 5 2 7 41.477 82.955 0.43 3.09 24 36.0 5.8
160 7 1 3 41.856 83.711 0.433 3.05 24 31.0 4.2
161 5 4 0 41.92 83.839 0.434 3.05 12 2.9 0.0
162 5 4 1 42.1 84.2 0.435 3.03 24 31.9 4.5
163 0 0 12 42.161 84.322 0.436 3.02 2 22.3 0.2
164 3 2 10 42.24 84.479 0.436 3.02 24 35.2 5.4
165 1 0 12 42.582 85.164 0.439 2.99 12 37.7 3.1
166 4 2 9 42.608 85.216 0.439 2.99 24 100.7 43.7
167 6 2 5 42.631 85.263 0.44 2.98 24 49.3 10.5
168 5 4 2 42.64 85.28 0.44 2.98 24 21.1 1.9
169 6 3 0 42.762 85.523 0.441 2.97 12 17.0 0.6
170 6 0 8 42.916 85.831 0.442 2.96 12 25.5 1.4
171 4 4 6 42.927 85.854 0.442 2.96 12 25.2 1.4
172 6 3 1 42.941 85.883 0.442 2.96 24 28.2 3.4
173 4 1 10 43.081 86.162 0.443 2.95 24 46.3 9.1
174 7 1 4 43.115 86.231 0.444 2.95 24 66.6 18.8
175 6 1 7 43.162 86.324 0.444 2.94 24 42.1 7.5
176 8 0 0 43.182 86.364 0.444 2.94 6 29.3 0.9
177 4 3 8 43.336 86.671 0.445 2.93 24 60.5 15.5
178 5 3 6 43.347 86.694 0.446 2.93 24 6.2 0.2
179 7 0 6 43.347 86.694 0.446 2.93 12 10.9 0.2
180 1 1 12 43.423 86.846 0.446 2.92 12 76.5 12.4
181 6 3 2 43.48 86.961 0.447 2.92 24 55.6 13.0
182 3 1 11 43.492 86.984 0.447 2.92 24 22.8 2.2
183 5 4 3 43.538 87.077 0.447 2.91 24 5.4 0.1
184 2 0 12 43.843 87.685 0.45 2.89 12 65.6 9.0
185 5 1 9 43.868 87.737 0.45 2.89 24 18.0 1.4
186 8 0 2 43.9 87.8 0.45 2.89 12 32.1 2.1
187 5 2 8 44.175 88.35 0.452 2.87 24 147.9 90.8
188 6 3 3 44.377 88.755 0.454 2.86 24 47.5 9.3
189 7 2 0 44.441 88.882 0.454 2.86 12 4.1 0.0
190 6 2 6 44.606 89.212 0.456 2.85 24 1.9 0.0
191 7 2 1 44.62 89.24 0.456 2.85 24 26.5 2.9
192 7 1 5 44.73 89.46 0.457 2.84 24 11.0 0.5
193 5 0 10 44.759 89.518 0.457 2.84 12 57.6 6.8
194 5 4 4 44.794 89.587 0.457 2.84 24 15.1 0.9
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 0 4.907 9.814 9.00493 42.4 4.3 4.4 5.6
2 0 0 2 6.423 12.846 6.8855 313.0 32.0 32.3 5.6
3 1 0 2 8.096 16.191 5.46973 64.0 6.5 6.6 5.6
4 1 1 0 8.52 17.041 5.199 416.2 42.6 42.9 5.6
5 2 0 0 9.851 19.701 4.50247 234.3 24.0 24.1 5.6
6 1 1 2 10.699 21.398 4.14909 457.7 46.8 47.0 5.6
7 2 0 2 11.795 23.59 3.76833 198.4 20.3 20.4 5.6
8 0 0 4 12.929 25.858 3.44275 219.3 22.4 22.5 5.6
9 2 1 1 13.481 26.962 3.30412 977.3 100.0 100.0 5.6
10 1 0 4 13.859 27.718 3.21574 177.6 18.2 18.2 5.6
11 2 1 2 14.623 29.246 3.05114 14.6 1.5 1.5 5.6
12 3 0 0 14.87 29.739 3.00164 299.5 30.7 30.6 5.6
13 1 1 4 15.566 31.132 2.87045 742.0 75.9 75.7 5.6
14 2 0 4 16.359 32.718 2.73487 426.1 43.6 43.4 5.6
15 2 2 0 17.237 34.473 2.5995 118.3 12.1 12.0 5.7
16 3 1 0 17.964 35.928 2.49752 82.2 8.4 8.3 5.7
17 3 1 1 18.267 36.534 2.45743 128.0 13.1 13.0 5.7
18 2 2 2 18.465 36.931 2.43196 62.8 6.4 6.4 5.7
19 3 0 4 19.905 39.81 2.26247 14.7 1.5 1.5 5.7
20 3 1 3 20.555 41.111 2.19383 48.0 4.9 4.8 5.7
21 1 1 6 21.522 43.044 2.09967 41.4 4.2 4.2 5.7
22 2 2 4 21.796 43.592 2.07455 19.3 2.0 1.9 5.7
23 3 2 1 22.15 44.3 2.04301 43.2 4.4 4.4 5.7
24 3 1 4 22.397 44.795 2.02159 113.6 11.6 11.4 5.7
25 3 2 2 22.91 45.819 1.97873 11.5 1.2 1.2 5.7
26 4 1 0 23.079 46.157 1.96504 97.8 10.0 9.8 5.7
27 4 1 1 23.326 46.652 1.94533 36.1 3.7 3.6 5.7
28 4 1 2 24.057 48.114 1.88959 116.3 11.9 11.7 5.7
29 3 2 3 24.134 48.269 1.88388 19.5 2.0 2.0 5.7
30 3 1 5 24.604 49.208 1.85012 175.3 17.9 17.6 5.7
31 3 0 6 24.991 49.982 1.82324 56.5 5.8 5.6 5.7
32 5 0 0 25.322 50.643 1.80099 106.8 10.9 10.7 5.8
33 0 0 8 26.582 53.164 1.72137 150.0 15.3 14.9 5.8
34 4 1 4 26.83 53.661 1.70661 76.8 7.9 7.6 5.8
35 4 2 0 26.913 53.826 1.70177 19.6 2.0 2.0 5.8
36 1 0 8 27.102 54.205 1.69076 21.1 2.2 2.1 5.8
37 4 2 1 27.134 54.269 1.68893 96.2 9.8 9.6 5.8
38 3 3 2 27.28 54.56 1.68059 11.4 1.2 1.1 5.8
39 4 2 2 27.791 55.583 1.65206 11.2 1.1 1.1 5.8
40 2 0 8 28.625 57.249 1.60787 55.4 5.7 5.5 5.8
41 4 1 5 28.786 57.571 1.59963 14.1 1.4 1.4 5.8
42 5 0 4 28.861 57.722 1.59582 48.5 5.0 4.8 5.8
43 3 3 4 29.842 59.685 1.54795 59.5 6.1 5.9 5.8
44 3 2 6 30.11 60.219 1.53548 10.2 1.0 1.0 5.8
45 5 1 3 30.329 60.658 1.52542 19.6 2.0 1.9 5.8
46 3 0 8 31.054 62.107 1.49325 67.1 6.9 6.6 5.8
47 4 3 1 31.555 63.11 1.47192 10.3 1.1 1.0 5.9
48 6 0 2 31.688 63.375 1.46639 39.4 4.0 3.9 5.9
49 4 2 5 32.145 64.29 1.44771 81.6 8.3 8.0 5.9
50 5 2 0 32.289 64.579 1.44194 118.3 12.1 11.6 5.9
51 2 2 8 32.459 64.918 1.43523 77.9 8.0 7.6 5.9
52 3 2 7 32.73 65.459 1.42466 10.3 1.1 1.0 5.9
53 4 3 3 33.141 66.283 1.40894 14.3 1.5 1.4 5.9
54 2 1 9 33.501 67.001 1.39557 29.9 3.1 2.9 5.9
55 4 1 7 33.645 67.29 1.39029 21.5 2.2 2.1 5.9
56 3 3 6 33.845 67.69 1.38303 11.3 1.2 1.1 5.9
57 6 0 4 34.048 68.096 1.37578 62.7 6.4 6.1 5.9
58 6 1 1 34.312 68.625 1.36646 36.7 3.8 3.6 5.9
59 1 1 10 35.355 70.71 1.33119 29.6 3.0 2.9 5.9
60 5 2 4 35.391 70.783 1.33 25.7 2.6 2.5 5.9
61 3 1 9 36.184 72.368 1.30472 107.9 11.0 10.4 5.9
62 7 0 0 36.782 73.565 1.28642 36.9 3.8 3.6 6.0
63 4 4 2 37.092 74.185 1.27719 15.9 1.6 1.5 6.0
64 6 2 0 38.085 76.171 1.24876 18.8 1.9 1.8 6.0
65 6 2 1 38.27 76.54 1.24366 49.2 5.0 4.7 6.0
66 6 1 5 38.813 77.626 1.22895 47.0 4.8 4.5 6.0
67 5 2 6 39.114 78.229 1.22098 46.8 4.8 4.5 6.0
68 2 2 10 39.271 78.542 1.21689 12.7 1.3 1.2 6.0
69 4 4 4 39.306 78.612 1.21598 72.7 7.4 6.9 6.0
70 4 2 8 39.53 79.061 1.21021 23.0 2.4 2.2 6.0
71 6 2 3 39.736 79.472 1.20497 55.3 5.7 5.3 6.0
72 4 0 10 40.973 81.946 1.17474 24.5 2.5 2.3 6.1
73 6 2 4 41.008 82.015 1.17392 11.0 1.1 1.0 6.1
74 4 2 9 42.608 85.216 1.13782 59.1 6.0 5.6 6.1
75 7 1 4 43.115 86.231 1.12701 18.8 1.9 1.8 6.1
76 4 3 8 43.336 86.671 1.12241 15.9 1.6 1.5 6.1
77 1 1 12 43.423 86.846 1.12061 12.4 1.3 1.2 6.1
78 6 3 2 43.48 86.961 1.11942 15.2 1.6 1.4 6.1
79 2 0 12 43.843 87.685 1.11203 10.4 1.1 1.0 6.2
80 5 2 8 44.175 88.35 1.10537 90.8 9.3 8.5 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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