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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DUSMATOVITE
1, f-sogdianite, DN
K(1.36)Na(0.64)(Mn,Zr,Y)(2)(Zn,Li)(3)[Si(12)O(30)]
Hexagonal P 6/mcc Z = 2
R =0.036
19 .1 .1996
Ref.Str.:
Sokolova E.V., Pautov L.A. (1995)
* Dokl. RAN, 344, 607-610
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.218 alpha = 90.0
b = 10.218 beta = 90.0
c = 14.292 gamma = 120.0
Unit cell volume (cub. angs.) = 1292.28
Molar volume ( cub.cm/mol.) = 389.19
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.25 0.33 Mn = 0.76, Zr = 0.12, Y = 0.12
2 0.3333 0.6667 0.0 4.6 Na = 0.32, K = 0.18
3 0.0 0.0 0.25 1.7 K = 1.00
4 0.1118 0.3491 0.1102 0.88 Si = 1.00
5 0.0 0.5 0.25 1.99 Zn = 0.76, Li = 0.24
6 0.1263 0.3881 0.0 2.0 O = 1.00
7 0.2166 0.2752 0.1354 1.5 O = 1.00
8 0.155 0.4953 0.1702 1.4 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.25
2 2 0.3333 0.6667 0.0
3 3 0.0 0.0 0.25
4 4 0.1118 0.3491 0.1102
5 5 0.0 0.5 0.25
6 6 0.1263 0.3881 0.0
7 7 0.2166 0.2752 0.1354
8 8 0.155 0.4953 0.1702
9 4 0.6509 0.7627 0.1102
10 4 0.2373 0.8882 0.1102
11 5 0.5 0.5 0.25
12 5 0.5 0.0 0.25
13 6 0.6119 0.7382 0.0
14 6 0.2618 0.8737 0.0
15 7 0.7248 0.9414 0.1354
16 7 0.0586 0.7834 0.1354
17 8 0.5047 0.6597 0.1702
18 8 0.3403 0.845 0.1702
19 1 0.6667 0.3333 0.25
20 2 0.6667 0.3333 0.0
21 4 0.8882 0.6509 0.1102
22 6 0.8737 0.6119 0.0
23 7 0.7834 0.7248 0.1354
24 8 0.845 0.5047 0.1702
25 4 0.3491 0.2373 0.1102
26 4 0.7627 0.1118 0.1102
27 6 0.3881 0.2618 0.0
28 6 0.7382 0.1263 0.0
29 7 0.2752 0.0586 0.1354
30 7 0.9414 0.2166 0.1354
31 8 0.4953 0.3403 0.1702
32 8 0.6597 0.155 0.1702
33 1 0.3333 0.6666 0.75
34 2 0.3333 0.6666 0.5
35 3 0.0 0.0 0.75
36 4 0.1118 0.7627 0.6102
37 5 0.0 0.5 0.75
38 6 0.1263 0.7382 0.5
39 7 0.2166 0.9414 0.6354
40 8 0.155 0.6597 0.6702
41 4 0.6509 0.8882 0.6102
42 4 0.2373 0.3491 0.6102
43 5 0.5 0.0 0.75
44 5 0.5 0.5 0.75
45 6 0.6119 0.8737 0.5
46 6 0.2618 0.3881 0.5
47 7 0.7248 0.7834 0.6354
48 7 0.0586 0.2752 0.6354
49 8 0.5047 0.845 0.6702
50 8 0.3403 0.4953 0.6702
51 1 0.6667 0.3334 0.75
52 2 0.6667 0.3334 0.5
53 4 0.8882 0.2373 0.6102
54 6 0.8737 0.2618 0.5
55 7 0.7834 0.0586 0.6354
56 8 0.845 0.3403 0.6702
57 4 0.3491 0.1118 0.6102
58 4 0.7627 0.6509 0.6102
59 6 0.3881 0.1263 0.5
60 6 0.7382 0.6119 0.5
61 7 0.2752 0.2166 0.6354
62 7 0.9414 0.7248 0.6354
63 8 0.4953 0.155 0.6702
64 8 0.6597 0.5047 0.6702
65 4 0.1118 0.3491 0.8898
66 7 0.2166 0.2752 0.8646
67 8 0.155 0.4953 0.8298
68 4 0.6509 0.7627 0.8898
69 4 0.2373 0.8882 0.8898
70 7 0.7248 0.9414 0.8646
71 7 0.0586 0.7834 0.8646
72 8 0.5047 0.6597 0.8298
73 8 0.3403 0.845 0.8298
74 4 0.8882 0.6509 0.8898
75 7 0.7834 0.7248 0.8646
76 8 0.845 0.5047 0.8298
77 4 0.3491 0.2373 0.8898
78 4 0.7627 0.1118 0.8898
79 7 0.2752 0.0586 0.8646
80 7 0.9414 0.2166 0.8646
81 8 0.4953 0.3403 0.8298
82 8 0.6597 0.155 0.8298
83 4 0.1118 0.7627 0.3898
84 7 0.2166 0.9414 0.3646
85 8 0.155 0.6597 0.3298
86 4 0.6509 0.8882 0.3898
87 4 0.2373 0.3491 0.3898
88 7 0.7248 0.7834 0.3646
89 7 0.0586 0.2752 0.3646
90 8 0.5047 0.845 0.3298
91 8 0.3403 0.4953 0.3298
92 4 0.8882 0.2373 0.3898
93 7 0.7834 0.0586 0.3646
94 8 0.845 0.3403 0.3298
95 4 0.3491 0.1118 0.3898
96 4 0.7627 0.6509 0.3898
97 7 0.2752 0.2166 0.3646
98 7 0.9414 0.7248 0.3646
99 8 0.4953 0.155 0.3298
100 8 0.6597 0.5047 0.3298
X-ray density (g/cm cub.) = 2.99
MU (1/cm) = 186.959 Mass attenuation coefficient (cm**2/g) = 62.428
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Zr ,Y 2.796 6
2.1205 8
2.121 8
2.12 8
2.1201 8
2.1205 8
2.1209 8
2 Na ,K 3.228 9
2.5606 6
3.0187 8
2.5609 6
2.5598 6
3.0191 8
3.0184 8
3.0187 8
3.0191 8
3.0184 8
3 K 3.228 12
3.0438 7
3.0438 7
3.0439 7
3.0438 7
3.0438 7
3.0439 7
3.0438 7
3.0438 7
3.0439 7
3.0438 7
3.0438 7
3.0439 7
4 Si 2.1 4
1.6132 6
1.6295 7
1.5819 8
1.624 7
5 Zn ,Li 2.628 4
1.9717 8
1.9717 8
1.9717 8
1.9717 8
6 O 3.264 6
2.6441 7
2.6233 8
2.6598 7
2.6441 7
2.6233 8
2.6598 7
7 O 3.264 6
2.6441 6
2.6678 8
2.6597 6
2.5655 7
2.5657 7
2.6278 8
8 O 3.264 8
2.6233 6
2.6678 7
3.0964 8
3.0964 8
3.2167 8
2.6278 7
2.8328 8
2.9645 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 4.994 9.987 0.057 260.97 6 49.1 226.3
2 0 0 2 6.188 12.376 0.07 169.16 2 215.4 939.8
3 1 0 2 7.964 15.928 0.09 101.24 12 69.9 355.1
4 1 1 0 8.672 17.343 0.098 85.05 6 55.2 93.0
5 2 0 0 10.026 20.052 0.113 63.07 6 93.1 196.4
6 1 1 2 10.681 21.362 0.12 55.32 12 115.6 530.9
7 2 0 2 11.816 23.631 0.133 44.82 12 147.4 699.6
8 0 0 4 12.45 24.9 0.14 40.16 2 128.8 79.8
9 2 1 0 13.315 26.63 0.149 34.86 12 1.8 0.1
10 1 0 4 13.444 26.888 0.151 34.15 12 114.2 320.3
11 2 1 1 13.682 27.363 0.154 32.91 24 138.2 903.3
12 2 1 2 14.731 29.462 0.165 28.11 24 70.0 197.9
13 3 0 0 15.138 30.275 0.17 26.52 6 88.3 74.4
14 1 1 4 15.253 30.505 0.171 26.09 12 203.7 778.2
15 2 0 4 16.087 32.174 0.18 23.27 12 189.3 599.2
16 2 1 3 16.343 32.687 0.183 22.48 24 62.6 126.8
17 3 0 2 16.41 32.82 0.183 22.29 12 37.0 21.9
18 2 2 0 17.55 35.1 0.196 19.26 6 284.0 558.2
19 3 1 0 18.291 36.583 0.204 17.59 12 34.3 14.8
20 2 1 4 18.389 36.777 0.205 17.38 24 51.4 66.0
21 3 1 1 18.569 37.138 0.207 17.01 24 53.6 70.2
22 2 2 2 18.677 37.353 0.208 16.8 12 125.9 191.3
23 0 0 6 18.867 37.734 0.21 16.43 2 75.8 11.3
24 3 1 2 19.381 38.762 0.215 15.48 24 23.7 12.5
25 1 0 6 19.566 39.131 0.217 15.16 12 2.2 0.1
26 3 0 4 19.793 39.587 0.22 14.77 12 81.9 71.3
27 4 0 0 20.376 40.753 0.226 13.85 6 38.1 7.2
28 3 1 3 20.674 41.348 0.229 13.41 24 69.2 92.4
29 2 1 5 20.762 41.524 0.23 13.28 24 8.2 1.3
30 1 1 6 20.904 41.807 0.232 13.08 12 34.6 11.2
31 4 0 2 21.376 42.752 0.237 12.44 12 109.4 107.0
32 2 0 6 21.547 43.093 0.238 12.22 12 61.1 32.8
33 2 2 4 21.757 43.515 0.241 11.96 12 146.4 184.2
34 3 2 0 22.298 44.596 0.246 11.31 12 101.4 83.6
35 3 1 4 22.381 44.762 0.247 11.22 24 122.7 242.9
36 3 2 1 22.534 45.069 0.249 11.05 24 5.7 0.5
37 3 2 2 23.231 46.462 0.256 10.31 24 4.5 0.3
38 2 1 6 23.391 46.782 0.258 10.15 24 39.0 22.2
39 4 1 0 23.509 47.019 0.259 10.04 12 106.8 82.3
40 4 1 1 23.736 47.472 0.261 9.82 24 90.2 114.9
41 4 0 4 24.175 48.35 0.266 9.42 12 48.7 16.0
42 3 2 3 24.358 48.717 0.268 9.26 24 17.8 4.2
43 4 1 2 24.406 48.813 0.268 9.22 24 72.5 69.7
44 3 1 5 24.436 48.871 0.269 9.2 24 103.8 142.4
45 3 0 6 24.56 49.121 0.27 9.09 12 90.6 53.6
46 4 1 3 25.494 50.989 0.279 8.35 24 27.4 9.0
47 0 0 8 25.542 51.083 0.28 8.31 2 395.0 155.4
48 5 0 0 25.8 51.6 0.283 8.13 6 125.7 46.2
49 3 2 4 25.874 51.748 0.283 8.07 24 27.4 8.7
50 1 0 8 26.095 52.191 0.286 7.92 12 8.3 0.4
51 2 1 7 26.232 52.464 0.287 7.82 24 34.3 13.2
52 2 2 6 26.241 52.482 0.287 7.82 12 239.3 321.6
53 5 0 2 26.64 53.28 0.291 7.55 12 45.8 11.4
54 3 1 6 26.785 53.569 0.293 7.46 24 45.6 22.3
55 3 3 0 26.892 53.784 0.294 7.39 6 82.1 17.9
56 4 1 4 26.964 53.928 0.294 7.35 24 82.6 72.1
57 1 1 8 27.179 54.357 0.296 7.22 12 19.0 1.9
58 4 2 0 27.426 54.853 0.299 7.07 12 78.0 30.9
59 4 2 1 27.629 55.259 0.301 6.95 24 31.4 9.9
60 3 3 2 27.709 55.417 0.302 6.91 12 61.8 19.0
61 2 0 8 27.709 55.419 0.302 6.91 12 42.6 9.0
62 3 2 5 27.735 55.47 0.302 6.89 24 11.4 1.3
63 4 2 2 28.233 56.465 0.307 6.62 24 36.2 12.5
64 4 0 6 28.372 56.743 0.308 6.55 12 44.2 9.2
65 4 1 5 28.776 57.553 0.312 6.34 24 36.3 12.0
66 5 1 0 28.99 57.98 0.315 6.24 12 20.8 1.9
67 5 0 4 29.058 58.117 0.315 6.2 12 2.7 0.0
68 5 1 1 29.186 58.372 0.317 6.14 24 98.5 85.6
69 4 2 3 29.22 58.44 0.317 6.13 24 26.1 6.0
70 2 1 8 29.263 58.526 0.317 6.11 24 30.2 8.0
71 3 1 7 29.39 58.78 0.319 6.05 24 28.7 7.2
72 5 1 2 29.769 59.537 0.322 5.87 24 70.5 42.0
73 3 2 6 29.903 59.806 0.324 5.82 24 52.8 23.3
74 3 3 4 30.07 60.14 0.325 5.74 12 174.5 125.6
75 3 0 8 30.27 60.541 0.327 5.66 12 104.1 44.1
76 4 2 4 30.568 61.136 0.33 5.54 24 57.8 26.6
77 5 1 3 30.725 61.45 0.332 5.47 24 48.2 18.3
78 4 1 6 30.898 61.796 0.333 5.41 24 5.8 0.3
79 6 0 0 31.485 62.971 0.339 5.19 6 145.4 39.4
80 2 2 8 31.745 63.491 0.342 5.09 12 245.6 220.8
81 4 3 0 31.971 63.941 0.344 5.02 12 42.3 6.5
82 5 1 4 32.035 64.07 0.344 4.99 24 57.7 23.9
83 4 3 1 32.156 64.311 0.345 4.95 24 46.7 15.5
84 6 0 2 32.228 64.456 0.346 4.93 12 189.7 127.4
85 3 1 8 32.229 64.457 0.346 4.93 24 15.7 1.7
86 4 2 5 32.252 64.504 0.346 4.92 24 50.5 18.1
87 3 2 7 32.349 64.697 0.347 4.89 24 16.8 2.0
88 2 1 9 32.477 64.954 0.349 4.85 24 47.3 15.6
89 0 0 10 32.613 65.226 0.35 4.8 2 28.6 0.5
90 4 3 2 32.707 65.414 0.351 4.77 24 20.0 2.7
91 5 0 6 32.835 65.669 0.352 4.74 12 20.2 1.4
92 5 2 0 32.929 65.859 0.353 4.71 12 195.4 129.2
93 1 0 10 33.089 66.178 0.354 4.66 12 34.8 4.0
94 5 2 1 33.112 66.223 0.355 4.65 24 74.8 37.4
95 4 1 7 33.302 66.603 0.356 4.59 24 55.5 20.3
96 4 3 3 33.616 67.232 0.359 4.5 24 13.7 1.2
97 5 2 2 33.655 67.31 0.36 4.49 24 29.0 5.4
98 4 0 8 33.656 67.311 0.36 4.49 12 36.3 4.2
99 5 1 5 33.679 67.357 0.36 4.49 24 80.4 41.7
100 3 3 6 33.781 67.561 0.361 4.46 12 47.5 7.2
101 1 1 10 34.032 68.063 0.363 4.39 12 98.1 30.3
102 4 2 6 34.249 68.498 0.365 4.33 24 55.4 19.1
103 6 0 4 34.404 68.808 0.367 4.29 12 164.3 83.3
104 2 0 10 34.498 68.996 0.368 4.27 12 95.2 27.8
105 5 2 3 34.551 69.102 0.368 4.26 24 41.0 10.3
106 6 1 0 34.806 69.612 0.371 4.19 12 82.7 20.6
107 4 3 4 34.868 69.736 0.371 4.18 24 34.2 7.0
108 6 1 1 34.984 69.967 0.372 4.15 24 11.7 0.8
109 3 2 8 35.054 70.107 0.373 4.13 24 80.5 38.5
110 3 1 9 35.292 70.584 0.375 4.08 24 137.0 109.9
111 6 1 2 35.513 71.027 0.377 4.03 24 27.7 4.4
112 5 1 6 35.636 71.272 0.378 4.0 24 16.2 1.5
113 5 2 4 35.788 71.577 0.38 3.96 24 36.0 7.4
114 2 1 10 35.881 71.762 0.38 3.94 24 73.4 30.5
115 4 1 8 35.972 71.944 0.381 3.93 24 47.1 12.5
116 6 1 3 36.389 72.778 0.385 3.84 24 10.8 0.6
117 4 3 5 36.45 72.899 0.386 3.83 24 65.1 23.3
118 4 2 7 36.541 73.081 0.386 3.81 24 3.9 0.1
119 3 0 10 36.791 73.581 0.389 3.76 12 36.6 3.6
120 4 4 0 37.091 74.181 0.391 3.7 6 41.8 2.3
121 5 2 5 37.354 74.708 0.394 3.66 24 31.7 5.3
122 5 3 0 37.541 75.082 0.396 3.62 12 3.4 0.0
123 7 0 0 37.541 75.082 0.396 3.62 6 128.2 21.4
124 6 1 4 37.601 75.202 0.396 3.61 24 25.4 3.3
125 5 3 1 37.713 75.426 0.397 3.59 24 78.0 31.4
126 4 4 2 37.78 75.56 0.398 3.58 12 121.3 37.9
127 5 0 8 37.781 75.562 0.398 3.58 12 46.1 5.5
128 5 1 7 37.893 75.786 0.399 3.56 24 23.2 2.8
129 6 0 6 37.9 75.8 0.399 3.56 12 71.6 13.1
130 3 2 9 38.013 76.025 0.4 3.54 24 9.8 0.5
131 2 2 10 38.139 76.279 0.401 3.52 12 50.6 6.5
132 5 3 2 38.228 76.455 0.402 3.51 24 27.3 3.8
133 7 0 2 38.228 76.455 0.402 3.51 12 36.9 3.4
134 4 3 6 38.347 76.694 0.403 3.49 24 39.1 7.7
135 3 1 10 38.586 77.171 0.405 3.45 24 31.0 4.8
136 3 3 8 38.674 77.348 0.406 3.44 12 4.1 0.0
137 6 2 0 38.881 77.762 0.407 3.41 12 53.1 6.9
138 4 1 9 38.904 77.808 0.408 3.4 24 55.4 15.0
139 6 2 1 39.051 78.102 0.409 3.38 24 41.1 8.2
140 5 3 3 39.081 78.161 0.409 3.38 24 88.6 38.1
141 4 2 8 39.118 78.237 0.41 3.37 24 54.2 14.2
142 6 1 5 39.14 78.28 0.41 3.37 24 10.3 0.5
143 5 2 6 39.236 78.472 0.411 3.36 24 83.2 33.4
144 2 1 11 39.495 78.991 0.413 3.32 24 58.7 16.5
145 6 2 2 39.56 79.121 0.413 3.31 24 61.7 18.1
146 4 4 4 39.825 79.651 0.416 3.28 12 181.1 77.3
147 4 0 10 39.915 79.829 0.417 3.27 12 95.1 21.2
148 5 3 4 40.266 80.532 0.42 3.22 24 59.0 16.1
149 7 0 4 40.266 80.532 0.42 3.22 12 56.5 7.4
150 0 0 12 40.297 80.594 0.42 3.22 2 98.1 3.7
151 6 2 3 40.405 80.811 0.421 3.21 24 34.5 5.5
152 5 1 8 40.443 80.885 0.421 3.2 24 9.0 0.4
153 4 3 7 40.552 81.105 0.422 3.19 24 20.0 1.8
154 1 0 12 40.737 81.473 0.424 3.17 12 68.9 10.8
155 6 1 6 40.999 81.997 0.426 3.14 24 7.8 0.3
156 7 1 0 41.086 82.172 0.427 3.13 12 24.0 1.3
157 3 2 10 41.233 82.466 0.428 3.11 24 9.3 0.4
158 7 1 1 41.254 82.507 0.428 3.11 24 17.9 1.4
159 5 2 7 41.429 82.859 0.43 3.09 24 42.3 8.0
160 6 2 4 41.582 83.164 0.431 3.08 24 4.2 0.1
161 1 1 12 41.613 83.225 0.431 3.08 12 90.3 18.0
162 7 1 2 41.757 83.513 0.432 3.06 24 49.2 10.7
163 5 3 5 41.779 83.558 0.432 3.06 24 70.0 21.5
164 4 2 9 41.983 83.967 0.434 3.04 24 37.2 6.0
165 2 0 12 42.049 84.099 0.435 3.03 12 65.6 9.4
166 4 1 10 42.107 84.214 0.435 3.03 24 69.8 21.2
167 3 1 11 42.129 84.258 0.435 3.03 24 40.5 7.1
168 7 1 3 42.593 85.186 0.439 2.99 24 13.4 0.8
169 6 0 8 42.63 85.26 0.44 2.98 12 36.8 2.9
170 5 4 0 42.832 85.665 0.441 2.97 12 50.2 5.4
171 5 4 1 42.999 85.999 0.443 2.95 24 45.9 8.9
172 4 3 8 43.065 86.131 0.443 2.95 24 49.8 10.5
173 6 2 5 43.087 86.173 0.443 2.95 24 44.1 8.2
174 6 1 7 43.174 86.348 0.444 2.94 24 0.8 0.0
175 4 4 6 43.181 86.362 0.444 2.94 12 110.9 26.0
176 5 1 9 43.29 86.58 0.445 2.93 24 84.8 30.3
177 2 1 12 43.356 86.712 0.446 2.93 24 19.1 1.5
178 5 4 2 43.5 86.999 0.447 2.92 24 22.0 2.0
179 5 3 6 43.616 87.232 0.448 2.91 24 30.3 3.8
180 7 0 6 43.616 87.232 0.448 2.91 12 45.2 4.3
181 6 3 0 43.702 87.405 0.448 2.9 12 64.7 8.7
182 7 1 4 43.76 87.521 0.449 2.9 24 86.4 31.1
183 5 0 10 43.848 87.697 0.45 2.89 12 10.2 0.2
184 6 3 1 43.869 87.738 0.45 2.89 24 40.8 6.9
185 5 2 8 43.935 87.87 0.45 2.89 24 125.1 64.9
186 8 0 0 44.137 88.273 0.452 2.88 6 134.9 18.8
187 3 0 12 44.225 88.451 0.453 2.87 12 31.3 2.0
188 5 4 3 44.332 88.665 0.454 2.86 24 18.3 1.4
189 6 3 2 44.368 88.737 0.454 2.86 24 28.6 3.4
190 3 3 10 44.717 89.434 0.457 2.84 12 87.8 15.7
191 3 2 11 44.739 89.478 0.457 2.84 24 32.7 4.4
192 8 0 2 44.803 89.605 0.457 2.84 12 4.3 0.0
193 6 2 6 44.919 89.837 0.458 2.83 24 13.8 0.8
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 4.994 9.987 8.84905 226.3 24.1 24.1 5.6
2 0 0 2 6.188 12.376 7.146 939.8 100.0 100.0 5.6
3 1 0 2 7.964 15.928 5.55957 355.1 37.8 37.7 5.6
4 1 1 0 8.672 17.343 5.109 93.0 9.9 9.9 5.6
5 2 0 0 10.026 20.052 4.42452 196.4 20.9 20.8 5.6
6 1 1 2 10.681 21.362 4.15607 530.9 56.5 56.2 5.6
7 2 0 2 11.816 23.631 3.76183 699.6 74.4 73.9 5.6
8 0 0 4 12.45 24.9 3.573 79.8 8.5 8.4 5.6
9 1 0 4 13.444 26.888 3.31312 320.3 34.1 33.7 5.6
10 2 1 1 13.682 27.363 3.25664 903.3 96.1 95.1 5.6
11 2 1 2 14.731 29.462 3.02925 197.9 21.1 20.8 5.6
12 3 0 0 15.138 30.275 2.94968 74.4 7.9 7.8 5.6
13 1 1 4 15.253 30.505 2.928 778.2 82.8 81.8 5.6
14 2 0 4 16.087 32.174 2.77978 599.2 63.8 62.9 5.6
15 2 1 3 16.343 32.687 2.73737 126.8 13.5 13.3 5.6
16 3 0 2 16.41 32.82 2.72654 21.9 2.3 2.3 5.6
17 2 2 0 17.55 35.1 2.5545 558.2 59.4 58.4 5.7
18 3 1 0 18.291 36.583 2.45428 14.8 1.6 1.6 5.7
19 2 1 4 18.389 36.777 2.44175 66.0 7.0 6.9 5.7
20 3 1 1 18.569 37.138 2.41888 70.2 7.5 7.3 5.7
21 2 2 2 18.677 37.353 2.40543 191.3 20.4 20.0 5.7
22 0 0 6 18.867 37.734 2.382 11.3 1.2 1.2 5.7
23 3 1 2 19.381 38.762 2.3212 12.5 1.3 1.3 5.7
24 3 0 4 19.793 39.587 2.27469 71.3 7.6 7.4 5.7
25 3 1 3 20.674 41.348 2.18178 92.4 9.8 9.6 5.7
26 1 1 6 20.904 41.807 2.15888 11.2 1.2 1.2 5.7
27 4 0 2 21.376 42.752 2.11331 107.0 11.4 11.1 5.7
28 2 0 6 21.547 43.093 2.09737 32.8 3.5 3.4 5.7
29 2 2 4 21.757 43.515 2.07803 184.2 19.6 19.1 5.7
30 3 2 0 22.298 44.596 2.03011 83.6 8.9 8.7 5.7
31 3 1 4 22.381 44.762 2.023 242.9 25.8 25.2 5.7
32 2 1 6 23.391 46.782 1.94024 22.2 2.4 2.3 5.7
33 4 1 0 23.509 47.019 1.93102 82.3 8.8 8.5 5.7
34 4 1 1 23.736 47.472 1.91363 114.9 12.2 11.9 5.7
35 4 0 4 24.175 48.35 1.88091 16.0 1.7 1.7 5.7
36 4 1 2 24.406 48.813 1.86416 69.7 7.4 7.2 5.7
37 3 1 5 24.436 48.871 1.86207 142.4 15.1 14.7 5.7
38 3 0 6 24.56 49.121 1.85319 53.6 5.7 5.5 5.7
39 0 0 8 25.542 51.083 1.7865 155.4 16.5 16.0 5.8
40 5 0 0 25.8 51.6 1.76981 46.2 4.9 4.7 5.8
41 2 2 6 26.241 52.482 1.74212 334.9 35.6 34.4 5.8
42 5 0 2 26.64 53.28 1.71791 11.4 1.2 1.2 5.8
43 3 1 6 26.785 53.569 1.70931 22.3 2.4 2.3 5.8
44 3 3 0 26.892 53.784 1.703 17.9 1.9 1.8 5.8
45 4 1 4 26.964 53.928 1.6988 72.1 7.7 7.4 5.8
46 4 2 0 27.426 54.853 1.67231 30.9 3.3 3.2 5.8
47 4 2 1 27.629 55.259 1.66098 9.9 1.0 1.0 5.8
48 3 3 2 27.709 55.417 1.65661 29.2 3.1 3.0 5.8
49 4 2 2 28.233 56.465 1.62832 12.5 1.3 1.3 5.8
50 4 1 5 28.776 57.553 1.60011 12.0 1.3 1.2 5.8
51 5 1 1 29.186 58.372 1.5796 85.6 9.1 8.7 5.8
52 5 1 2 29.769 59.537 1.55143 42.0 4.5 4.3 5.8
53 3 2 6 29.903 59.806 1.54509 23.3 2.5 2.4 5.8
54 3 3 4 30.07 60.14 1.53731 125.6 13.4 12.8 5.8
55 3 0 8 30.27 60.541 1.52808 44.1 4.7 4.5 5.8
56 4 2 4 30.568 61.136 1.51462 26.6 2.8 2.7 5.8
57 5 1 3 30.725 61.45 1.50765 18.3 1.9 1.9 5.8
58 6 0 0 31.485 62.971 1.47484 39.4 4.2 4.0 5.9
59 2 2 8 31.745 63.491 1.464 220.8 23.5 22.3 5.9
60 5 1 4 32.035 64.07 1.45215 23.9 2.5 2.4 5.9
61 4 3 1 32.156 64.311 1.4473 15.5 1.7 1.6 5.9
62 6 0 2 32.228 64.456 1.4444 147.2 15.7 14.9 5.9
63 2 1 9 32.477 64.954 1.43452 15.6 1.7 1.6 5.9
64 5 2 0 32.929 65.859 1.41698 129.2 13.7 13.0 5.9
65 5 2 1 33.112 66.223 1.41007 41.4 4.4 4.2 5.9
66 4 1 7 33.302 66.603 1.40294 20.3 2.2 2.0 5.9
67 5 1 5 33.679 67.357 1.38905 51.4 5.5 5.2 5.9
68 1 1 10 34.032 68.063 1.37636 30.3 3.2 3.0 5.9
69 4 2 6 34.249 68.498 1.36868 19.1 2.0 1.9 5.9
70 6 0 4 34.404 68.808 1.36327 83.3 8.9 8.3 5.9
71 2 0 10 34.498 68.996 1.36001 27.8 3.0 2.8 5.9
72 5 2 3 34.551 69.102 1.35818 10.3 1.1 1.0 5.9
73 6 1 0 34.806 69.612 1.34947 20.6 2.2 2.1 5.9
74 3 2 8 35.054 70.107 1.34115 38.5 4.1 3.9 5.9
75 3 1 9 35.292 70.584 1.33325 109.9 11.7 11.0 5.9
76 2 1 10 35.881 71.762 1.31424 30.5 3.3 3.0 5.9
77 4 1 8 35.972 71.944 1.31136 12.5 1.3 1.2 5.9
78 4 3 5 36.45 72.899 1.29652 23.3 2.5 2.3 6.0
79 7 0 0 37.541 75.082 1.26415 21.4 2.3 2.1 6.0
80 5 3 1 37.713 75.426 1.25923 31.4 3.3 3.1 6.0
81 4 4 2 37.78 75.56 1.25732 43.3 4.6 4.3 6.0
82 6 0 6 37.9 75.8 1.25394 15.9 1.7 1.6 6.0
83 4 1 9 38.904 77.808 1.22653 21.9 2.3 2.2 6.0
84 5 3 3 39.081 78.161 1.22186 46.4 4.9 4.6 6.0
85 4 2 8 39.118 78.237 1.22088 14.7 1.6 1.4 6.0
86 5 2 6 39.236 78.472 1.2178 33.4 3.6 3.3 6.0
87 2 1 11 39.495 78.991 1.2111 16.5 1.8 1.6 6.0
88 6 2 2 39.56 79.121 1.20944 18.1 1.9 1.8 6.0
89 4 4 4 39.825 79.651 1.20271 77.3 8.2 7.6 6.0
90 4 0 10 39.915 79.829 1.20047 21.2 2.3 2.1 6.0
91 5 3 4 40.266 80.532 1.19176 23.5 2.5 2.3 6.1
92 1 0 12 40.737 81.473 1.18036 10.8 1.2 1.1 6.1
93 1 1 12 41.613 83.225 1.1599 18.0 1.9 1.8 6.1
94 5 3 5 41.779 83.558 1.15613 32.2 3.4 3.1 6.1
95 4 1 10 42.107 84.214 1.14878 28.3 3.0 2.7 6.1
96 4 3 8 43.065 86.131 1.12807 18.7 2.0 1.8 6.1
97 4 4 6 43.181 86.362 1.12564 26.0 2.8 2.5 6.1
98 5 1 9 43.29 86.58 1.12336 30.3 3.2 2.9 6.1
99 7 1 4 43.76 87.521 1.11369 31.1 3.3 3.0 6.2
100 5 2 8 43.935 87.87 1.11017 64.9 6.9 6.2 6.2
101 8 0 0 44.137 88.273 1.10613 18.8 2.0 1.8 6.2
102 3 3 10 44.717 89.434 1.09476 20.1 2.1 1.9 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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