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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LEIFITE
3, DN
(K,Na)Na(6)[Be(2)Al(3)Si(15)O(39)F(2)]
Hexagonal P 3(-)m1 Z = 1
P3(-)m1
22 .11 .10
Ref.Str.:
Armstrong J.A., Friis H., Lieb A., Finch A.A., Weller M.T. (2010)
* Amer. Mineral., 95, 519-526
R: from Vesle Aroya, Langesundsfjord, Norway.
There are U(ij) in the article. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.3446 alpha = 90.0
b = 14.3446 beta = 90.0
c = 4.8455 gamma = 120.0
Unit cell volume (cub. angs.) = 863.47
Molar volume ( cub.cm/mol.) = 520.1
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7508 0.2492 0.2019 0.0 Na = 1.00
2 0.0 0.0 0.0 0.0 K = 0.46, K = 0.0
3 0.0 0.0 0.5 0.0 Na = 0.2 , Na = 0.0
4 0.0 0.2163 0.5 0.0 Si = 0.56, Al = 0.44
5 0.0 0.3437 0.0 0.0 Si = 1.00
6 0.4475 0.5525 0.3062 0.0 Si = 1.00
7 0.3333 0.6667 0.3685 0.0 Be = 1.00
8 0.1002 0.8998 0.3903 0.0 O = 1.00
9 0.309 0.2611 0.2495 0.0 O = 1.00
10 0.3585 0.4574 0.1026 0.0 O = 1.00
11 0.5 0.0 0.5 0.0 O = 1.00
12 0.3939 0.6061 0.4835 0.0 O = 1.00
13 0.3333 0.6667 0.0397 0.0 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7508 0.2492 0.2019
2 2 0.0 0.0 0.0
3 3 0.0 0.0 0.5
4 4 0.0 0.2163 0.5
5 5 0.0 0.3437 0.0
6 6 0.4475 0.5525 0.3062
7 7 0.3333 0.6667 0.3685
8 8 0.1002 0.8998 0.3903
9 9 0.309 0.2611 0.2495
10 10 0.3585 0.4574 0.1026
11 11 0.5 0.0 0.5
12 12 0.3939 0.6061 0.4835
13 13 0.3333 0.6667 0.0397
14 1 0.7508 0.5016 0.2019
15 1 0.4984 0.2492 0.2019
16 4 0.7837 0.7837 0.5
17 4 0.2164 0.0 0.5
18 5 0.6563 0.6562 0.0
19 5 0.3438 0.0 0.0
20 6 0.4475 0.8949 0.3062
21 6 0.1051 0.5525 0.3062
22 8 0.1002 0.2004 0.3903
23 8 0.7996 0.8998 0.3903
24 9 0.7389 0.0479 0.2495
25 9 0.9521 0.691 0.2495
26 10 0.5426 0.901 0.1026
27 10 0.099 0.6415 0.1026
28 11 0.0 0.5 0.5
29 11 0.5 0.5 0.5
30 12 0.3939 0.7878 0.4835
31 12 0.2122 0.6061 0.4835
32 4 0.0 0.7837 0.5
33 5 0.0 0.6563 0.0
34 9 0.309 0.0479 0.2495
35 10 0.3585 0.9011 0.1026
36 4 0.7837 0.0 0.5
37 4 0.2164 0.2164 0.5
38 5 0.6563 0.0 0.0
39 5 0.3438 0.3438 0.0
40 9 0.7389 0.691 0.2495
41 9 0.9521 0.2611 0.2495
42 10 0.5426 0.6415 0.1026
43 10 0.099 0.4574 0.1026
44 1 0.2492 0.7508 0.7981
45 6 0.5525 0.4475 0.6938
46 7 0.6667 0.3333 0.6315
47 8 0.8998 0.1002 0.6097
48 9 0.691 0.7389 0.7505
49 10 0.6415 0.5426 0.8974
50 12 0.6061 0.3939 0.5165
51 13 0.6667 0.3333 0.9603
52 1 0.2492 0.4984 0.7981
53 1 0.5016 0.7508 0.7981
54 6 0.5525 0.1051 0.6938
55 6 0.8949 0.4475 0.6938
56 8 0.8998 0.7996 0.6097
57 8 0.2004 0.1002 0.6097
58 9 0.2611 0.9521 0.7505
59 9 0.0479 0.309 0.7505
60 10 0.4574 0.099 0.8974
61 10 0.901 0.3585 0.8974
62 12 0.6061 0.2122 0.5165
63 12 0.7878 0.3939 0.5165
64 9 0.691 0.9521 0.7505
65 10 0.6415 0.0989 0.8974
66 9 0.2611 0.309 0.7505
67 9 0.0479 0.7389 0.7505
68 10 0.4574 0.3585 0.8974
69 10 0.901 0.5426 0.8974
X-ray density (g/cm cub.) = 2.58
MU (1/cm) = 85.137 Mass attenuation coefficient (cm**2/g) = 32.972
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 5
2.3958 13
2.4292 10
2.4108 12
2.4109 12
2.4293 10
2 K ,K 3.228 6
3.1268 8
3.1267 8
3.1267 8
3.1268 8
3.1267 8
3.1267 8
3 Na ,Na 2.808 6
2.5461 8
2.546 8
2.546 8
2.5461 8
2.546 8
2.546 8
4 Si ,Al 2.316 4
1.6521 8
1.6731 9
1.652 8
1.6731 9
5 Si 2.1 4
1.5886 9
1.6146 10
1.5886 9
1.6146 10
6 Si 2.1 4
1.6498 10
1.5844 12
1.6083 11
1.6499 10
7 Be 2.04 4
1.6044 12
1.5932 13
1.6042 12
1.6042 12
8 O 3.264 6
2.7543 9
2.7543 9
2.7075 8
2.7075 8
2.6841 9
2.6842 9
9 O 3.264 7
2.6347 10
2.7543 8
3.0587 9
2.6841 8
2.7035 9
2.6948 9
2.5339 10
10 O 3.264 7
2.6347 9
2.6703 12
3.2117 13
2.6386 11
2.6406 10
2.534 9
2.6518 10
11 O 3.264 6
2.6386 10
2.6378 12
2.6385 10
2.6386 10
2.6378 12
2.6385 10
12 O 3.264 7
2.6703 10
3.0866 13
2.6245 13
2.6378 11
2.6056 12
2.6056 12
2.6702 10
13 F 3.228 12
3.2117 10
2.6245 12
3.0866 12
3.2116 10
3.2114 10
2.6243 12
3.0865 12
2.6243 12
3.0865 12
3.2116 10
3.2116 10
3.2115 10
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 3.555 7.11 0.04 517.21 6 25.8 276.9
2 1 1 0 6.165 12.331 0.07 170.43 6 31.6 136.9
3 2 0 0 7.124 14.247 0.08 127.09 6 26.1 69.5
4 0 0 1 9.147 18.294 0.103 76.21 2 16.3 5.4
5 2 1 0 9.442 18.884 0.106 71.39 12 58.4 391.9
6 1 0 -1 9.825 19.649 0.111 65.77 6 32.8 56.8
7 1 0 1 9.825 19.649 0.111 65.77 6 58.1 178.9
8 3 0 0 10.72 21.441 0.121 54.9 6 63.0 175.5
9 1 1 1 11.061 22.121 0.125 51.44 12 35.7 105.6
10 2 0 -1 11.632 23.263 0.131 46.31 6 14.1 7.5
11 2 0 1 11.632 23.263 0.131 46.31 6 37.9 53.4
12 2 2 0 12.403 24.807 0.139 40.48 6 72.2 169.9
13 3 1 0 12.918 25.837 0.145 37.16 12 34.6 71.4
14 2 1 -1 13.205 26.41 0.148 35.47 12 26.0 38.7
15 2 1 1 13.205 26.41 0.148 35.47 12 114.2 744.6
16 3 0 -1 14.163 28.327 0.159 30.57 6 219.9 1189.9
17 3 0 1 14.163 28.327 0.159 30.57 6 7.0 1.2
18 4 0 0 14.36 28.721 0.161 29.69 6 76.4 139.3
19 2 2 1 15.499 30.998 0.173 25.21 12 24.6 24.5
20 3 2 0 15.681 31.361 0.175 24.59 12 19.7 15.3
21 3 1 -1 15.922 31.843 0.178 23.79 12 48.8 91.2
22 3 1 1 15.922 31.843 0.178 23.79 12 10.0 3.8
23 4 1 0 16.508 33.015 0.184 22.0 12 18.3 11.8
24 4 0 -1 17.133 34.266 0.191 20.29 6 38.1 23.7
25 4 0 1 17.133 34.266 0.191 20.29 6 64.2 67.4
26 5 0 0 18.061 36.122 0.201 18.08 6 2.1 0.1
27 3 2 -1 18.274 36.548 0.204 17.62 12 103.4 303.1
28 3 2 1 18.274 36.548 0.204 17.62 12 19.8 11.1
29 0 0 2 18.538 37.076 0.206 17.08 2 57.1 15.0
30 3 3 0 18.795 37.591 0.209 16.57 6 115.7 178.6
31 1 0 -2 18.901 37.801 0.21 16.36 6 7.9 0.8
32 1 0 2 18.901 37.801 0.21 16.36 6 42.2 23.4
33 4 1 -1 19.001 38.003 0.211 16.17 12 33.7 29.5
34 4 1 1 19.001 38.003 0.211 16.17 12 40.5 42.6
35 4 2 0 19.154 38.307 0.213 15.89 12 13.8 4.8
36 1 1 2 19.608 39.216 0.218 15.08 12 8.3 1.7
37 2 0 -2 19.954 39.908 0.222 14.51 6 14.4 2.4
38 2 0 2 19.954 39.908 0.222 14.51 6 14.5 2.5
39 5 1 0 20.196 40.392 0.224 14.13 12 29.6 19.9
40 5 0 -1 20.39 40.78 0.226 13.83 6 145.1 234.2
41 5 0 1 20.39 40.78 0.226 13.83 6 1.5 0.0
42 2 1 -2 20.963 41.926 0.232 13.0 12 47.4 47.1
43 2 1 2 20.963 41.926 0.232 13.0 12 16.1 5.4
44 3 3 1 21.056 42.111 0.233 12.87 12 54.3 61.0
45 4 2 -1 21.382 42.764 0.237 12.43 12 31.8 20.3
46 4 2 1 21.382 42.764 0.237 12.43 12 62.2 77.5
47 3 0 -2 21.614 43.228 0.239 12.14 6 36.6 13.1
48 3 0 2 21.614 43.228 0.239 12.14 6 89.2 77.8
49 6 0 0 21.841 43.682 0.241 11.85 6 11.2 1.2
50 4 3 0 22.158 44.316 0.245 11.48 12 4.6 0.4
51 5 1 -1 22.338 44.676 0.247 11.27 12 7.7 1.1
52 5 1 1 22.338 44.676 0.247 11.27 12 10.1 1.8
53 2 2 2 22.563 45.125 0.249 11.02 12 5.1 0.5
54 5 2 0 22.782 45.564 0.251 10.78 12 12.9 2.9
55 3 1 -2 22.872 45.743 0.252 10.68 12 61.0 63.9
56 3 1 2 22.872 45.743 0.252 10.68 12 21.5 8.0
57 4 0 -2 23.781 47.561 0.262 9.78 6 8.0 0.5
58 4 0 2 23.781 47.561 0.262 9.78 6 65.0 33.2
59 6 0 -1 23.864 47.729 0.263 9.7 6 0.4 0.0
60 6 0 1 23.864 47.729 0.263 9.7 6 132.5 137.0
61 6 1 0 23.991 47.982 0.264 9.59 12 26.5 10.9
62 4 3 -1 24.161 48.321 0.266 9.44 12 5.0 0.4
63 4 3 1 24.161 48.321 0.266 9.44 12 22.1 7.4
64 3 2 -2 24.664 49.327 0.271 9.0 12 6.0 0.5
65 3 2 2 24.664 49.327 0.271 9.0 12 39.0 22.1
66 5 2 -1 24.745 49.491 0.272 8.94 12 2.6 0.1
67 5 2 1 24.745 49.491 0.272 8.94 12 5.5 0.4
68 4 1 -2 25.24 50.479 0.277 8.54 12 32.9 14.9
69 4 1 2 25.24 50.479 0.277 8.54 12 31.9 14.0
70 4 4 0 25.441 50.883 0.279 8.39 6 98.3 65.2
71 5 3 0 25.724 51.448 0.282 8.18 12 19.2 4.8
72 7 0 0 25.724 51.448 0.282 8.18 6 57.2 21.6
73 6 1 -1 25.885 51.77 0.283 8.07 12 53.2 36.7
74 6 1 1 25.885 51.77 0.283 8.07 12 0.1 0.0
75 5 0 -2 26.364 52.728 0.288 7.74 6 46.9 13.7
76 5 0 2 26.364 52.728 0.288 7.74 6 185.6 214.5
77 6 2 0 26.56 53.119 0.29 7.61 12 24.5 7.3
78 3 3 2 26.914 53.827 0.294 7.38 12 25.1 7.5
79 4 2 -2 27.186 54.371 0.297 7.21 12 72.2 60.6
80 4 2 2 27.186 54.371 0.297 7.21 12 14.8 2.6
81 4 4 1 27.262 54.523 0.297 7.17 12 32.7 12.3
82 5 3 -1 27.531 55.063 0.3 7.01 12 26.1 7.7
83 5 3 1 27.531 55.063 0.3 7.01 12 23.8 6.4
84 7 0 -1 27.531 55.063 0.3 7.01 6 20.3 2.3
85 7 0 1 27.531 55.063 0.3 7.01 6 20.0 2.3
86 7 1 0 27.913 55.826 0.304 6.79 12 49.8 27.1
87 5 1 -2 27.991 55.981 0.305 6.75 12 5.2 0.3
88 5 1 2 27.991 55.981 0.305 6.75 12 36.3 14.3
89 6 2 -1 28.33 56.66 0.308 6.57 12 21.4 4.9
90 6 2 1 28.33 56.66 0.308 6.57 12 61.2 39.6
91 0 0 3 28.483 56.967 0.31 6.49 2 14.9 0.4
92 1 0 -3 28.745 57.491 0.312 6.36 6 37.2 7.1
93 1 0 3 28.745 57.491 0.312 6.36 6 49.0 12.3
94 5 4 0 28.965 57.93 0.314 6.25 12 26.0 6.8
95 1 1 3 29.265 58.53 0.317 6.1 12 19.9 3.9
96 6 0 -2 29.3 58.6 0.318 6.09 6 162.1 128.7
97 6 0 2 29.3 58.6 0.318 6.09 6 46.3 10.5
98 6 3 0 29.482 58.964 0.319 6.0 12 40.1 15.5
99 2 0 -3 29.522 59.045 0.32 5.99 6 63.0 19.1
100 2 0 3 29.522 59.045 0.32 5.99 6 13.9 0.9
101 4 3 -2 29.557 59.114 0.32 5.97 12 37.1 13.3
102 4 3 2 29.557 59.114 0.32 5.97 12 16.6 2.7
103 7 1 -1 29.629 59.258 0.321 5.94 12 0.5 0.0
104 7 1 1 29.629 59.258 0.321 5.94 12 11.1 1.2
105 8 0 0 29.739 59.477 0.322 5.89 6 58.1 16.0
106 5 2 -2 30.068 60.136 0.325 5.74 12 76.0 53.5
107 5 2 2 30.068 60.136 0.325 5.74 12 42.3 16.6
108 2 1 -3 30.287 60.574 0.327 5.65 12 19.6 3.5
109 2 1 3 30.287 60.574 0.327 5.65 12 10.6 1.0
110 7 2 0 30.5 61.0 0.329 5.56 12 3.2 0.1
111 5 4 -1 30.644 61.288 0.331 5.51 12 84.3 63.0
112 5 4 1 30.644 61.288 0.331 5.51 12 10.7 1.0
113 3 0 -3 30.79 61.581 0.332 5.45 6 46.4 9.4
114 3 0 3 30.79 61.581 0.332 5.45 6 56.0 13.8
115 6 1 -2 31.074 62.148 0.335 5.34 12 16.3 2.3
116 6 1 2 31.074 62.148 0.335 5.34 12 30.2 7.9
117 6 3 -1 31.144 62.288 0.336 5.31 12 102.3 89.6
118 6 3 1 31.144 62.288 0.336 5.31 12 43.2 15.9
119 8 0 -1 31.392 62.784 0.338 5.22 6 48.5 9.9
120 8 0 1 31.392 62.784 0.338 5.22 6 70.6 20.9
121 2 2 3 31.537 63.073 0.34 5.17 12 14.2 1.7
122 3 1 -3 31.783 63.566 0.342 5.08 12 19.1 3.0
123 3 1 3 31.783 63.566 0.342 5.08 12 8.0 0.5
124 8 1 0 31.99 63.98 0.344 5.01 12 10.6 0.9
125 7 2 -1 32.13 64.261 0.345 4.96 12 18.6 2.7
126 7 2 1 32.13 64.261 0.345 4.96 12 5.0 0.2
127 4 4 2 32.306 64.612 0.347 4.9 12 11.9 1.1
128 5 5 0 32.478 64.957 0.349 4.85 6 95.4 35.5
129 4 0 -3 32.517 65.033 0.349 4.84 6 24.0 2.2
130 4 0 3 32.517 65.033 0.349 4.84 6 135.8 71.8
131 5 3 -2 32.549 65.099 0.349 4.82 12 17.9 2.5
132 5 3 2 32.549 65.099 0.349 4.82 12 11.0 0.9
133 7 0 -2 32.549 65.099 0.349 4.82 6 46.3 8.3
134 7 0 2 32.549 65.099 0.349 4.82 6 55.0 11.7
135 6 4 0 32.721 65.442 0.351 4.77 12 18.7 2.7
136 3 2 -3 33.241 66.483 0.356 4.61 12 28.8 6.2
137 3 2 3 33.241 66.483 0.356 4.61 12 18.2 2.5
138 6 2 -2 33.274 66.548 0.356 4.6 12 29.6 6.5
139 6 2 2 33.274 66.548 0.356 4.6 12 4.5 0.2
140 7 3 0 33.444 66.887 0.358 4.55 12 38.9 11.1
141 8 1 -1 33.581 67.161 0.359 4.51 12 33.2 8.0
142 8 1 1 33.581 67.161 0.359 4.51 12 59.1 25.4
143 4 1 -3 33.72 67.44 0.36 4.48 12 37.8 10.3
144 4 1 3 33.72 67.44 0.36 4.48 12 11.7 1.0
145 9 0 0 33.921 67.842 0.362 4.42 6 145.7 75.5
146 5 5 1 34.057 68.114 0.364 4.38 12 46.2 15.0
147 6 4 -1 34.294 68.588 0.366 4.32 12 37.9 10.0
148 6 4 1 34.294 68.588 0.366 4.32 12 4.0 0.1
149 7 1 -2 34.464 68.928 0.367 4.28 12 31.9 7.0
150 7 1 2 34.464 68.928 0.367 4.28 12 30.4 6.3
151 8 2 0 34.631 69.262 0.369 4.23 12 2.4 0.0
152 5 0 -3 34.668 69.336 0.369 4.23 6 49.1 8.2
153 5 0 3 34.668 69.336 0.369 4.23 6 48.2 7.9
154 7 3 -1 35.001 70.001 0.372 4.14 12 28.4 5.4
155 7 3 1 35.001 70.001 0.372 4.14 12 17.7 2.1
156 3 3 3 35.137 70.275 0.374 4.11 12 131.8 115.0
157 4 2 -3 35.371 70.742 0.376 4.06 12 17.0 1.9
158 4 2 3 35.371 70.742 0.376 4.06 12 9.1 0.5
159 5 4 -2 35.403 70.805 0.376 4.05 12 67.7 29.9
160 5 4 2 35.403 70.805 0.376 4.05 12 38.4 9.6
161 9 0 -1 35.468 70.936 0.377 4.04 6 48.7 7.7
162 9 0 1 35.468 70.936 0.377 4.04 6 60.4 11.8
163 6 3 -2 35.868 71.735 0.38 3.95 12 41.3 10.8
164 6 3 2 35.868 71.735 0.38 3.95 12 124.5 98.4
165 5 1 -3 36.068 72.136 0.382 3.9 12 23.9 3.6
166 5 1 3 36.068 72.136 0.382 3.9 12 9.3 0.5
167 8 0 -2 36.099 72.199 0.382 3.9 6 55.3 9.6
168 8 0 2 36.099 72.199 0.382 3.9 6 27.9 2.4
169 8 2 -1 36.164 72.329 0.383 3.88 12 15.3 1.5
170 8 2 1 36.164 72.329 0.383 3.88 12 12.0 0.9
171 6 5 0 36.263 72.526 0.384 3.86 12 3.8 0.1
172 9 1 0 36.263 72.526 0.384 3.86 12 6.5 0.3
173 7 4 0 36.724 73.448 0.388 3.77 12 48.0 14.0
174 7 2 -2 36.791 73.582 0.389 3.76 12 50.3 15.3
175 7 2 2 36.791 73.582 0.389 3.76 12 46.3 13.0
176 6 0 -3 37.218 74.436 0.393 3.68 6 79.1 18.5
177 6 0 3 37.218 74.436 0.393 3.68 6 9.8 0.3
178 4 3 -3 37.447 74.893 0.395 3.64 12 15.6 1.4
179 4 3 3 37.447 74.893 0.395 3.64 12 0.1 0.0
180 8 3 0 37.639 75.278 0.396 3.6 12 44.1 11.3
181 6 5 -1 37.769 75.539 0.398 3.58 12 62.7 22.6
182 6 5 1 37.769 75.539 0.398 3.58 12 3.6 0.1
183 9 1 -1 37.769 75.539 0.398 3.58 12 56.9 18.7
184 9 1 1 37.769 75.539 0.398 3.58 12 15.3 1.3
185 5 2 -3 37.902 75.804 0.399 3.56 12 13.0 1.0
186 5 2 3 37.902 75.804 0.399 3.56 12 25.3 3.7
187 8 1 -2 38.16 76.319 0.401 3.52 12 58.3 19.3
188 8 1 2 38.16 76.319 0.401 3.52 12 35.5 7.1
189 7 4 -1 38.223 76.447 0.402 3.51 12 29.2 4.8
190 7 4 1 38.223 76.447 0.402 3.51 12 62.8 22.2
191 10 0 0 38.32 76.64 0.402 3.49 6 13.2 0.5
192 5 5 2 38.612 77.224 0.405 3.45 12 4.7 0.1
193 6 1 -3 38.807 77.615 0.407 3.42 12 52.8 15.4
194 6 1 3 38.807 77.615 0.407 3.42 12 2.7 0.0
195 6 4 -2 38.838 77.676 0.407 3.41 12 14.7 1.2
196 6 4 2 38.838 77.676 0.407 3.41 12 16.8 1.5
197 9 2 0 38.997 77.995 0.408 3.39 12 82.9 37.5
198 8 3 -1 39.126 78.253 0.41 3.37 12 69.5 26.2
199 8 3 1 39.126 78.253 0.41 3.37 12 41.2 9.2
200 0 0 4 39.485 78.969 0.413 3.32 2 125.9 14.1
201 7 3 -2 39.513 79.025 0.413 3.32 12 44.7 10.7
202 7 3 2 39.513 79.025 0.413 3.32 12 27.3 4.0
203 1 0 -4 39.709 79.418 0.415 3.29 6 55.7 8.2
204 1 0 4 39.709 79.418 0.415 3.29 6 35.1 3.3
205 10 0 -1 39.8 79.6 0.416 3.28 6 61.7 10.1
206 10 0 1 39.8 79.6 0.416 3.28 6 104.6 28.9
207 4 4 3 39.931 79.861 0.417 3.26 12 69.5 25.4
208 9 0 -2 39.961 79.922 0.417 3.26 6 67.8 12.1
209 9 0 2 39.961 79.922 0.417 3.26 6 93.6 23.0
210 6 6 0 40.119 80.238 0.418 3.24 6 85.5 19.0
211 5 3 -3 40.154 80.308 0.419 3.24 12 54.0 15.2
212 5 3 3 40.154 80.308 0.419 3.24 12 46.9 11.5
213 7 0 -3 40.154 80.308 0.419 3.24 6 21.7 1.2
214 7 0 3 40.154 80.308 0.419 3.24 6 95.7 23.8
215 1 1 4 40.157 80.313 0.419 3.24 12 23.4 2.8
216 7 5 0 40.343 80.685 0.42 3.21 12 35.1 6.4
217 2 0 -4 40.38 80.76 0.421 3.21 6 20.7 1.1
218 2 0 4 40.38 80.76 0.421 3.21 6 10.2 0.3
219 9 2 -1 40.47 80.941 0.421 3.2 12 22.8 2.7
220 9 2 1 40.47 80.941 0.421 3.2 12 11.6 0.7
221 8 2 -2 40.631 81.261 0.423 3.18 12 23.1 2.7
222 8 2 2 40.631 81.261 0.423 3.18 12 3.8 0.1
223 10 1 0 40.788 81.577 0.424 3.16 12 1.6 0.0
224 6 2 -3 40.823 81.647 0.424 3.16 12 24.9 3.1
225 6 2 3 40.823 81.647 0.424 3.16 12 5.9 0.2
226 8 4 0 41.011 82.022 0.426 3.14 12 36.3 6.7
227 2 1 -4 41.048 82.096 0.426 3.13 12 46.4 10.9
228 2 1 4 41.048 82.096 0.426 3.13 12 11.5 0.7
229 3 0 -4 41.493 82.985 0.43 3.09 6 78.2 15.2
230 3 0 4 41.493 82.985 0.43 3.09 6 51.4 6.6
231 6 6 1 41.583 83.165 0.431 3.08 12 10.1 0.5
232 7 5 -1 41.804 83.609 0.433 3.06 12 1.7 0.0
233 7 5 1 41.804 83.609 0.433 3.06 12 67.9 22.7
234 7 1 -3 41.934 83.867 0.434 3.04 12 26.1 3.3
235 7 1 3 41.934 83.867 0.434 3.04 12 18.6 1.7
236 9 3 0 42.12 84.241 0.435 3.03 12 1.0 0.0
237 2 2 4 42.157 84.315 0.436 3.02 12 21.0 2.2
238 6 5 -2 42.185 84.37 0.436 3.02 12 52.4 13.4
239 6 5 2 42.185 84.37 0.436 3.02 12 25.3 3.1
240 9 1 -2 42.185 84.37 0.436 3.02 12 7.1 0.2
241 9 1 2 42.185 84.37 0.436 3.02 12 3.5 0.1
242 10 1 -1 42.247 84.494 0.436 3.02 12 11.6 0.7
243 10 1 1 42.247 84.494 0.436 3.02 12 28.3 3.9
244 3 1 -4 42.379 84.758 0.438 3.0 12 26.7 3.5
245 3 1 4 42.379 84.758 0.438 3.0 12 21.8 2.3
246 8 4 -1 42.468 84.937 0.438 3.0 12 8.5 0.3
247 8 4 1 42.468 84.937 0.438 3.0 12 5.0 0.1
248 7 4 -2 42.627 85.255 0.44 2.98 12 21.7 2.3
249 7 4 2 42.627 85.255 0.44 2.98 12 30.5 4.5
250 5 4 -3 42.819 85.637 0.441 2.97 12 42.8 8.8
251 5 4 3 42.819 85.637 0.441 2.97 12 93.1 41.4
252 11 0 0 43.005 86.01 0.443 2.95 6 52.8 6.6
253 4 0 -4 43.042 86.083 0.443 2.95 6 71.6 12.2
254 4 0 4 43.042 86.083 0.443 2.95 6 80.4 15.4
255 6 3 -3 43.26 86.52 0.445 2.93 12 16.5 1.3
256 6 3 3 43.26 86.52 0.445 2.93 12 14.4 1.0
257 8 0 -3 43.481 86.962 0.447 2.92 6 45.4 4.8
258 8 0 3 43.481 86.962 0.447 2.92 6 53.9 6.8
259 8 3 -2 43.511 87.021 0.447 2.92 12 16.6 1.3
260 8 3 2 43.511 87.021 0.447 2.92 12 37.4 6.5
261 9 3 -1 43.573 87.145 0.447 2.91 12 18.2 1.6
262 9 3 1 43.573 87.145 0.447 2.91 12 101.0 47.8
263 10 2 0 43.667 87.334 0.448 2.91 12 41.8 8.2
264 3 2 -4 43.704 87.407 0.448 2.9 12 7.8 0.3
265 3 2 4 43.704 87.407 0.448 2.9 12 46.5 10.1
266 7 2 -3 44.142 88.284 0.452 2.88 12 13.4 0.8
267 7 2 3 44.142 88.284 0.452 2.88 12 24.5 2.8
268 4 1 -4 44.145 88.289 0.452 2.88 12 50.5 11.8
269 4 1 4 44.145 88.289 0.452 2.88 12 9.8 0.4
270 10 0 -2 44.172 88.344 0.452 2.87 6 61.1 8.6
271 10 0 2 44.172 88.344 0.452 2.87 6 76.5 13.5
272 7 6 0 44.328 88.656 0.454 2.86 12 41.3 7.9
273 11 0 -1 44.454 88.909 0.455 2.86 6 71.1 11.6
274 11 0 1 44.454 88.909 0.455 2.86 6 5.2 0.1
275 8 5 0 44.769 89.537 0.457 2.84 12 22.2 2.2
276 9 2 -2 44.833 89.666 0.458 2.84 12 32.7 4.9
277 9 2 2 44.833 89.666 0.458 2.84 12 37.6 6.5
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 3.555 7.11 12.42279 276.9 23.2 23.6 5.5
2 1 1 0 6.165 12.331 7.1723 136.9 11.5 11.6 5.6
3 2 0 0 7.124 14.247 6.21139 69.5 5.8 5.9 5.6
4 2 1 0 9.442 18.884 4.69537 391.9 32.9 33.1 5.6
5 1 0 1 9.825 19.649 4.51426 235.7 19.8 19.9 5.6
6 3 0 0 10.72 21.441 4.14093 175.5 14.7 14.8 5.6
7 1 1 1 11.061 22.121 4.0151 105.6 8.9 8.9 5.6
8 2 0 1 11.632 23.263 3.8205 60.9 5.1 5.1 5.6
9 2 2 0 12.403 24.807 3.58615 169.9 14.3 14.3 5.6
10 3 1 0 12.918 25.837 3.44546 71.4 6.0 6.0 5.6
11 2 1 1 13.205 26.41 3.37196 783.3 65.8 65.9 5.6
12 3 0 1 14.163 28.327 3.14799 1191.1 100.0 100.0 5.6
13 4 0 0 14.36 28.721 3.1057 139.3 11.7 11.7 5.6
14 2 2 1 15.499 30.998 2.88256 24.5 2.1 2.1 5.6
15 3 2 0 15.681 31.361 2.84998 15.3 1.3 1.3 5.6
16 3 1 1 15.922 31.843 2.80796 95.0 8.0 8.0 5.6
17 4 0 1 17.133 34.266 2.61472 91.1 7.6 7.6 5.7
18 3 2 1 18.274 36.548 2.45657 314.3 26.4 26.2 5.7
19 0 0 2 18.538 37.076 2.42275 15.0 1.3 1.2 5.7
20 3 3 0 18.795 37.591 2.39077 178.6 15.0 14.9 5.7
21 1 0 2 18.901 37.801 2.37795 23.4 2.0 2.0 5.7
22 4 1 1 19.001 38.003 2.3658 72.1 6.1 6.0 5.7
23 5 1 0 20.196 40.392 2.2312 19.9 1.7 1.6 5.7
24 5 0 1 20.39 40.78 2.21086 234.3 19.7 19.4 5.7
25 2 1 2 20.963 41.926 2.15303 52.5 4.4 4.4 5.7
26 3 3 1 21.056 42.111 2.144 61.0 5.1 5.1 5.7
27 4 2 1 21.382 42.764 2.11276 97.8 8.2 8.1 5.7
28 3 0 2 21.614 43.228 2.09113 90.8 7.6 7.5 5.7
29 3 1 2 22.872 45.743 1.98184 71.9 6.0 5.9 5.7
30 4 0 2 23.781 47.561 1.91025 33.2 2.8 2.7 5.7
31 6 0 1 23.864 47.729 1.90394 137.0 11.5 11.3 5.7
32 3 2 2 24.664 49.327 1.8459 22.1 1.9 1.8 5.7
33 4 1 2 25.24 50.479 1.80645 28.9 2.4 2.4 5.8
34 4 4 0 25.441 50.883 1.79307 65.2 5.5 5.4 5.8
35 7 0 0 25.724 51.448 1.77468 26.4 2.2 2.2 5.8
36 6 1 1 25.885 51.77 1.7644 36.7 3.1 3.0 5.8
37 5 0 2 26.364 52.728 1.73458 228.2 19.2 18.7 5.8
38 4 2 2 27.186 54.371 1.68598 63.1 5.3 5.2 5.8
39 4 4 1 27.262 54.523 1.68163 12.3 1.0 1.0 5.8
40 5 3 1 27.531 55.063 1.66643 18.6 1.6 1.5 5.8
41 7 1 0 27.913 55.826 1.64544 27.1 2.3 2.2 5.8
42 5 1 2 27.991 55.981 1.64124 14.3 1.2 1.2 5.8
43 6 2 1 28.33 56.66 1.62319 44.4 3.7 3.6 5.8
44 1 0 3 28.745 57.491 1.60169 19.4 1.6 1.6 5.8
45 6 0 2 29.3 58.6 1.574 139.2 11.7 11.3 5.8
46 6 3 0 29.482 58.964 1.56512 15.5 1.3 1.3 5.8
47 2 0 3 29.522 59.045 1.56318 20.0 1.7 1.6 5.8
48 4 3 2 29.557 59.114 1.56151 15.9 1.3 1.3 5.8
49 8 0 0 29.739 59.477 1.55285 16.0 1.3 1.3 5.8
50 5 2 2 30.068 60.136 1.53741 70.1 5.9 5.7 5.8
51 5 4 1 30.644 61.288 1.51124 64.0 5.4 5.2 5.8
52 3 0 3 30.79 61.581 1.50475 23.2 1.9 1.9 5.8
53 6 3 1 31.144 62.288 1.48936 105.5 8.9 8.5 5.8
54 8 0 1 31.392 62.784 1.47877 30.8 2.6 2.5 5.9
55 5 5 0 32.478 64.957 1.43446 35.5 3.0 2.9 5.9
56 4 0 3 32.517 65.033 1.43296 74.0 6.2 6.0 5.9
57 7 0 2 32.549 65.099 1.43168 23.5 2.0 1.9 5.9
58 8 1 1 33.581 67.161 1.39263 33.4 2.8 2.7 5.9
59 9 0 0 33.921 67.842 1.38031 75.5 6.3 6.0 5.9
60 5 5 1 34.057 68.114 1.37545 15.0 1.3 1.2 5.9
61 7 1 2 34.464 68.928 1.36119 13.3 1.1 1.1 5.9
62 5 0 3 34.668 69.336 1.35418 16.1 1.4 1.3 5.9
63 3 3 3 35.137 70.275 1.33837 115.0 9.7 9.2 5.9
64 5 4 2 35.403 70.805 1.32963 39.5 3.3 3.1 5.9
65 9 0 1 35.468 70.936 1.3275 19.5 1.6 1.6 5.9
66 6 3 2 35.868 71.735 1.31466 109.3 9.2 8.7 5.9
67 8 0 2 36.099 72.199 1.30736 12.0 1.0 1.0 5.9
68 7 4 0 36.724 73.448 1.28818 14.0 1.2 1.1 6.0
69 7 2 2 36.791 73.582 1.28617 28.3 2.4 2.2 6.0
70 6 0 3 37.218 74.436 1.2735 18.8 1.6 1.5 6.0
71 6 5 1 37.769 75.539 1.25763 42.8 3.6 3.4 6.0
72 8 1 2 38.16 76.319 1.2467 26.4 2.2 2.1 6.0
73 7 4 1 38.223 76.447 1.24494 27.1 2.3 2.1 6.0
74 6 1 3 38.807 77.615 1.2291 15.4 1.3 1.2 6.0
75 9 2 0 38.997 77.995 1.22405 37.5 3.2 2.9 6.0
76 8 3 1 39.126 78.253 1.22066 35.4 3.0 2.8 6.0
77 0 0 4 39.485 78.969 1.21138 28.8 2.4 2.3 6.0
78 10 0 1 39.8 79.6 1.20336 38.9 3.3 3.0 6.0
79 4 4 3 39.931 79.861 1.20008 25.4 2.1 2.0 6.0
80 9 0 2 39.961 79.922 1.19932 35.0 2.9 2.7 6.0
81 6 6 0 40.119 80.238 1.19538 19.0 1.6 1.5 6.0
82 7 0 3 40.154 80.308 1.19452 54.5 4.6 4.3 6.0
83 3 0 4 41.493 82.985 1.16265 21.8 1.8 1.7 6.1
84 7 5 1 41.804 83.609 1.15556 22.7 1.9 1.8 6.1
85 6 5 2 42.185 84.37 1.14706 19.0 1.6 1.5 6.1
86 5 4 3 42.819 85.637 1.1333 50.2 4.2 3.9 6.1
87 4 0 4 43.042 86.083 1.12856 27.5 2.3 2.1 6.1
88 8 3 2 43.511 87.021 1.1188 19.5 1.6 1.5 6.1
89 9 3 1 43.573 87.145 1.11753 49.3 4.1 3.8 6.2
90 10 0 2 44.172 88.344 1.10543 37.2 3.1 2.8 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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