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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FERROSILITE
1, t-hypersthene, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-enstatite
Fe(2)Si(2)O(6)
Orthorhombic P bca Z = 8
Pbca
23 .4 .1992
Ref.Str.:
1. Smyth J.R., Bish D.L. (1988)
* Crystal structures and cation sites of the rock-forming
minerals. Boston.
2. Sasaki S., Fujino K., Takeuchi Y., Akimoto S. (1982)
* Z. Kristallogr., 158, 279-297
3. Ghose S., Schomaker V., McMullan R.K. (1986)
* Z. Kristallogr., 176, 159-175
Reserv:
See U(ij) in the original 3.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 18.427 alpha = 90.0
b = 9.076 beta = 90.0
c = 5.237 gamma = 90.0
Unit cell volume (cub. angs.) = 875.85
Molar volume ( cub.cm/mol.) = 65.94
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3757 0.654 0.8746 0.0 Fe = 1.00
2 0.3778 0.4857 0.3664 0.0 Fe = 1.00
3 0.2723 0.339 0.0494 0.0 Si = 1.00
4 0.4732 0.3342 0.7893 0.0 Si = 1.00
5 0.1835 0.3401 0.0347 0.0 O = 1.00
6 0.5623 0.3403 0.8002 0.0 O = 1.00
7 0.3109 0.5026 0.0432 0.0 O = 1.00
8 0.4328 0.4829 0.6891 0.0 O = 1.00
9 0.3032 0.2226 0.832 0.0 O = 1.00
10 0.4476 0.1951 0.6036 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3757 0.654 0.8746
2 2 0.3778 0.4857 0.3664
3 3 0.2723 0.339 0.0494
4 4 0.4732 0.3342 0.7893
5 5 0.1835 0.3401 0.0347
6 6 0.5623 0.3403 0.8002
7 7 0.3109 0.5026 0.0432
8 8 0.4328 0.4829 0.6891
9 9 0.3032 0.2226 0.832
10 10 0.4476 0.1951 0.6036
11 1 0.1243 0.346 0.3746
12 2 0.1222 0.5143 0.8664
13 3 0.2277 0.661 0.5494
14 4 0.0268 0.6658 0.2893
15 5 0.3165 0.6599 0.5347
16 6 0.9377 0.6597 0.3002
17 7 0.1891 0.4974 0.5432
18 8 0.0672 0.5171 0.1891
19 9 0.1968 0.7774 0.332
20 10 0.0524 0.8049 0.1036
21 1 0.1243 0.154 0.8746
22 2 0.1222 0.9857 0.3664
23 3 0.2277 0.839 0.0494
24 4 0.0268 0.8342 0.7893
25 5 0.3165 0.8401 0.0347
26 6 0.9377 0.8403 0.8002
27 7 0.1891 0.0026 0.0432
28 8 0.0672 0.9829 0.6891
29 9 0.1968 0.7226 0.832
30 10 0.0524 0.6951 0.6036
31 1 0.3757 0.846 0.3746
32 2 0.3778 0.0143 0.8664
33 3 0.2723 0.161 0.5494
34 4 0.4732 0.1658 0.2893
35 5 0.1835 0.1599 0.5347
36 6 0.5623 0.1597 0.3002
37 7 0.3109 0.9974 0.5432
38 8 0.4328 0.0171 0.1891
39 9 0.3032 0.2774 0.332
40 10 0.4476 0.3049 0.1036
41 1 0.8757 0.654 0.6254
42 2 0.8778 0.4857 0.1336
43 3 0.7723 0.339 0.4506
44 4 0.9732 0.3342 0.7107
45 5 0.6835 0.3401 0.4653
46 6 0.0623 0.3403 0.6998
47 7 0.8109 0.5026 0.4568
48 8 0.9328 0.4829 0.8109
49 9 0.8032 0.2226 0.668
50 10 0.9476 0.1951 0.8964
51 1 0.6243 0.346 0.1254
52 2 0.6222 0.5143 0.6336
53 3 0.7277 0.661 0.9506
54 4 0.5268 0.6658 0.2107
55 5 0.8165 0.6599 0.9653
56 6 0.4377 0.6597 0.1998
57 7 0.6891 0.4974 0.9568
58 8 0.5672 0.5171 0.3109
59 9 0.6968 0.7774 0.168
60 10 0.5524 0.8049 0.3964
61 1 0.6243 0.154 0.6254
62 2 0.6222 0.9857 0.1336
63 3 0.7277 0.839 0.4506
64 4 0.5268 0.8342 0.7107
65 5 0.8165 0.8401 0.4653
66 6 0.4377 0.8403 0.6998
67 7 0.6891 0.0026 0.4568
68 8 0.5672 0.9829 0.8109
69 9 0.6968 0.7226 0.668
70 10 0.5524 0.6951 0.8964
71 1 0.8757 0.846 0.1254
72 2 0.8778 0.0143 0.6336
73 3 0.7723 0.161 0.9506
74 4 0.9732 0.1658 0.2107
75 5 0.6835 0.1599 0.9653
76 6 0.0623 0.1597 0.1998
77 7 0.8109 0.9974 0.9568
78 8 0.9328 0.0171 0.3109
79 9 0.8032 0.2774 0.168
80 10 0.9476 0.3049 0.3964
X-ray density (g/cm cub.) = 4.0
MU (1/cm) = 194.79 Mass attenuation coefficient (cm**2/g) = 48.689
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.0236 7
2.1118 8
2.0886 5
2.1792 5
2.0512 6
2.2363 6
2 Fe 2.592 6
2.099 7
1.9712 8
2.1334 5
2.3436 9
2.4985 10
2.1158 6
3 Si 2.1 4
1.6383 5
1.6466 7
1.6542 9
1.6813 9
4 Si 2.1 4
1.6447 6
1.6278 8
1.6617 10
1.7325 10
5 O 3.264 11
2.7728 7
2.6701 9
3.0233 7
2.9452 7
2.7977 8
3.0652 7
3.0873 5
3.0873 5
2.7592 9
2.8397 6
2.9011 6
6 O 3.264 11
2.7763 8
2.6952 10
3.0892 6
3.0892 6
2.6637 10
2.8397 5
2.8575 7
3.1203 8
3.0248 8
3.2455 8
2.9011 5
7 O 3.264 10
2.7728 5
2.9183 8
2.7752 9
2.9452 5
3.0233 5
3.0652 5
3.1034 9
2.5466 9
3.1088 10
2.8575 6
8 O 3.264 10
2.7763 6
2.9183 7
2.6642 10
2.7977 5
2.7196 10
3.1203 6
3.0248 6
3.1863 8
3.2455 6
3.1217 10
9 O 3.264 9
2.6701 5
2.7752 7
2.928 10
3.1034 7
2.7592 5
2.5466 7
2.6653 9
2.6653 9
3.1083 10
10 O 3.264 10
2.6952 6
2.6642 8
2.928 9
2.6637 6
3.1088 7
2.7196 8
3.1083 9
2.8017 10
2.8017 10
3.1217 8
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 2 0 0 5.571 11.142 0.054 209.23 2 6.2 2.1
2 2 1 0 7.952 15.903 0.077 101.56 4 88.5 414.3
3 4 0 0 11.196 22.392 0.109 50.16 2 200.9 527.8
4 0 2 0 11.368 22.735 0.11 48.59 2 4.0 0.2
5 1 1 1 11.717 23.434 0.114 45.61 8 7.3 2.5
6 4 1 0 12.576 25.153 0.122 39.32 4 10.5 2.2
7 2 2 0 12.692 25.385 0.123 38.56 4 4.0 0.3
8 2 1 1 12.697 25.394 0.123 38.54 8 50.4 102.1
9 3 1 1 14.19 28.379 0.137 30.45 8 9.8 3.1
10 0 2 1 15.118 30.236 0.146 26.59 4 80.2 89.2
11 1 2 1 15.384 30.768 0.148 25.62 8 14.2 5.4
12 4 2 0 16.062 32.124 0.155 23.34 4 195.3 464.4
13 4 1 1 16.066 32.131 0.155 23.33 8 51.6 64.8
14 2 2 1 16.158 32.317 0.156 23.04 8 128.8 399.0
15 6 0 0 16.932 33.865 0.163 20.82 2 35.2 6.7
16 3 2 1 17.38 34.76 0.167 19.67 8 155.7 497.4
17 6 1 0 17.907 35.813 0.172 18.43 4 269.7 699.1
18 2 3 0 18.131 36.262 0.174 17.93 4 32.7 10.0
19 5 1 1 18.223 36.446 0.175 17.73 8 93.1 160.2
20 4 2 1 18.974 37.949 0.182 16.22 8 158.1 423.0
21 0 0 2 19.974 39.948 0.191 14.48 2 24.4 2.3
22 1 3 1 20.174 40.349 0.193 14.16 8 202.9 607.8
23 1 0 2 20.183 40.367 0.193 14.15 4 147.2 159.8
24 6 2 0 20.59 41.179 0.197 13.53 4 25.0 4.4
25 6 1 1 20.593 41.185 0.197 13.53 8 63.7 57.2
26 4 3 0 20.715 41.429 0.198 13.35 4 30.8 6.6
27 2 3 1 20.792 41.584 0.198 13.24 8 173.8 416.9
28 2 0 2 20.801 41.602 0.199 13.23 4 200.9 278.4
29 5 2 1 20.871 41.742 0.199 13.13 8 137.9 260.5
30 1 1 2 21.028 42.056 0.201 12.91 8 59.4 47.5
31 2 1 2 21.626 43.251 0.206 12.12 8 19.4 4.8
32 3 3 1 21.79 43.579 0.207 11.92 8 42.5 22.5
33 3 0 2 21.798 43.596 0.208 11.91 4 194.9 235.8
34 3 1 2 22.594 45.187 0.215 10.98 8 62.8 45.1
35 8 0 0 22.85 45.701 0.217 10.71 2 114.8 36.8
36 6 2 1 23.014 46.028 0.219 10.54 8 14.3 2.3
37 4 3 1 23.128 46.256 0.22 10.42 8 34.1 12.6
38 7 1 1 23.132 46.265 0.22 10.41 8 58.6 37.3
39 4 0 2 23.136 46.272 0.22 10.41 4 16.4 1.5
40 0 4 0 23.217 46.433 0.22 10.33 2 11.6 0.4
41 0 2 2 23.227 46.455 0.22 10.32 4 5.9 0.2
42 1 2 2 23.413 46.826 0.222 10.13 8 39.2 16.2
43 8 1 0 23.618 47.236 0.224 9.93 4 0.8 0.0
44 4 1 2 23.897 47.793 0.226 9.67 8 25.5 6.6
45 2 4 0 23.953 47.906 0.227 9.62 4 13.2 0.9
46 2 2 2 23.963 47.927 0.227 9.61 8 8.0 0.6
47 6 3 0 24.52 49.04 0.232 9.12 4 49.8 11.8
48 5 3 1 24.766 49.532 0.234 8.92 8 187.7 327.8
49 5 0 2 24.774 49.547 0.234 8.91 4 280.6 365.8
50 3 2 2 24.86 49.72 0.235 8.84 8 78.1 56.3
51 7 2 1 25.362 50.725 0.239 8.45 8 104.6 96.4
52 0 4 1 25.443 50.887 0.24 8.39 4 28.2 3.5
53 5 1 2 25.497 50.995 0.241 8.35 8 118.1 121.5
54 1 4 1 25.617 51.234 0.242 8.26 8 57.6 28.6
55 8 2 0 25.816 51.632 0.243 8.11 4 86.6 31.7
56 8 1 1 25.819 51.637 0.243 8.11 8 49.4 20.7
57 4 4 0 26.068 52.135 0.246 7.94 4 85.4 30.2
58 4 2 2 26.077 52.155 0.246 7.93 8 26.5 5.8
59 2 4 1 26.133 52.265 0.246 7.89 8 86.4 61.5
60 6 3 1 26.666 53.331 0.251 7.54 8 229.2 413.1
61 6 0 2 26.673 53.346 0.251 7.53 4 12.1 0.6
62 3 4 1 26.977 53.953 0.254 7.34 8 46.0 16.2
63 1 3 2 27.025 54.049 0.254 7.31 8 7.9 0.5
64 6 1 2 27.361 54.721 0.257 7.11 8 17.9 2.4
65 2 3 2 27.522 55.044 0.258 7.01 8 3.2 0.1
66 5 2 2 27.586 55.172 0.259 6.98 8 33.2 8.0
67 8 2 1 27.89 55.781 0.261 6.81 8 119.7 101.8
68 4 4 1 28.129 56.258 0.264 6.68 8 53.1 19.6
69 3 3 2 28.337 56.675 0.265 6.56 8 29.3 5.9
70 9 1 1 28.64 57.28 0.268 6.41 8 5.3 0.2
71 7 3 1 28.797 57.593 0.269 6.33 8 65.0 27.9
72 7 0 2 28.804 57.607 0.269 6.33 4 211.0 146.8
73 10 0 0 29.039 58.078 0.271 6.21 2 14.5 0.3
74 8 3 0 29.214 58.427 0.273 6.13 4 7.8 0.2
75 6 4 0 29.349 58.698 0.274 6.06 4 2.3 0.0
76 6 2 2 29.358 58.716 0.274 6.06 8 64.7 26.5
77 4 3 2 29.454 58.909 0.275 6.02 8 22.9 3.3
78 7 1 2 29.458 58.916 0.275 6.01 8 49.2 15.2
79 5 4 1 29.567 59.133 0.276 5.96 8 85.5 45.5
80 10 1 0 29.69 59.38 0.277 5.91 4 44.0 6.0
81 2 5 0 30.148 60.296 0.281 5.71 4 231.1 159.0
82 9 2 1 30.584 61.167 0.284 5.53 8 49.1 13.9
83 5 3 2 30.853 61.706 0.287 5.42 8 28.0 4.4
84 8 3 1 31.137 62.274 0.289 5.32 8 69.9 27.1
85 8 0 2 31.144 62.287 0.289 5.31 4 4.9 0.1
86 6 4 1 31.267 62.535 0.29 5.27 8 26.7 3.9
87 7 2 2 31.37 62.741 0.291 5.23 8 104.2 59.2
88 0 4 2 31.441 62.882 0.292 5.2 4 23.2 1.5
89 1 5 1 31.586 63.172 0.293 5.15 8 17.8 1.7
90 1 4 2 31.592 63.185 0.293 5.15 8 44.8 10.8
91 10 2 0 31.594 63.188 0.293 5.15 4 37.5 3.8
92 10 1 1 31.596 63.193 0.293 5.15 8 33.8 6.1
93 1 1 3 31.603 63.206 0.293 5.14 8 35.4 6.7
94 8 1 2 31.769 63.538 0.294 5.09 8 82.8 36.4
95 4 5 0 31.981 63.962 0.296 5.01 4 2.9 0.0
96 2 5 1 32.038 64.076 0.297 4.99 8 87.3 39.7
97 2 4 2 32.044 64.089 0.297 4.99 8 61.9 19.9
98 2 1 3 32.055 64.11 0.297 4.99 8 58.3 17.7
99 6 3 2 32.515 65.029 0.3 4.84 8 11.2 0.6
100 3 5 1 32.784 65.568 0.303 4.75 8 46.7 10.8
101 3 4 2 32.79 65.58 0.303 4.75 8 29.1 4.2
102 3 1 3 32.801 65.602 0.303 4.75 8 73.4 26.6
103 7 4 1 33.213 66.425 0.306 4.62 8 41.1 8.1
104 0 2 3 33.298 66.596 0.307 4.6 4 244.7 143.6
105 10 2 1 33.438 66.876 0.308 4.56 8 33.1 5.2
106 1 2 3 33.445 66.89 0.308 4.55 8 142.9 96.9
107 8 4 0 33.597 67.194 0.309 4.51 4 47.5 5.3
108 8 2 2 33.606 67.211 0.309 4.51 8 29.7 4.1
109 9 3 1 33.674 67.348 0.31 4.49 8 180.7 152.9
110 9 0 2 33.68 67.361 0.31 4.49 4 199.8 93.4
111 4 5 1 33.814 67.627 0.311 4.45 8 40.7 7.7
112 4 4 2 33.82 67.64 0.311 4.45 8 11.1 0.6
113 4 1 3 33.83 67.661 0.311 4.44 8 4.6 0.1
114 2 2 3 33.884 67.768 0.312 4.43 8 13.2 0.8
115 9 1 2 34.281 68.562 0.315 4.32 8 86.2 33.5
116 7 3 2 34.422 68.845 0.316 4.29 8 13.9 0.9
117 3 2 3 34.609 69.219 0.317 4.24 8 34.4 5.2
118 10 3 0 34.636 69.272 0.318 4.23 4 17.5 0.7
119 11 1 1 34.694 69.388 0.318 4.22 8 21.0 1.9
120 6 5 0 34.917 69.835 0.32 4.16 4 217.5 102.7
121 5 5 1 35.116 70.232 0.322 4.12 8 79.8 27.3
122 5 4 2 35.122 70.244 0.322 4.12 8 17.0 1.2
123 5 1 3 35.132 70.264 0.322 4.11 8 38.7 6.4
124 8 4 1 35.388 70.776 0.324 4.05 8 3.4 0.0
125 4 2 3 35.614 71.227 0.326 4.0 8 23.7 2.3
126 12 0 0 35.626 71.252 0.326 4.0 2 312.2 101.7
127 9 2 2 36.054 72.108 0.329 3.91 8 80.4 26.3
128 12 1 0 36.211 72.423 0.33 3.88 4 7.9 0.1
129 0 6 0 36.25 72.501 0.331 3.87 2 455.1 208.8
130 10 3 1 36.404 72.807 0.332 3.84 8 254.6 259.3
131 10 0 2 36.41 72.819 0.332 3.83 4 33.1 2.2
132 1 3 3 36.41 72.82 0.332 3.83 8 236.2 223.2
133 11 2 1 36.459 72.917 0.332 3.82 8 61.4 15.0
134 8 3 2 36.565 73.13 0.333 3.8 8 12.2 0.6
135 6 5 1 36.679 73.358 0.334 3.78 8 61.4 14.9
136 6 4 2 36.685 73.371 0.334 3.78 8 40.1 6.3
137 6 1 3 36.695 73.391 0.334 3.78 8 36.1 5.1
138 2 6 0 36.815 73.63 0.335 3.75 4 23.4 1.1
139 2 3 3 36.833 73.666 0.335 3.75 8 160.9 101.3
140 5 2 3 36.888 73.775 0.336 3.74 8 64.5 16.2
141 1 5 2 36.981 73.961 0.336 3.72 8 86.7 29.2
142 10 1 2 36.99 73.981 0.336 3.72 8 4.1 0.1
143 2 5 2 37.401 74.802 0.34 3.65 8 17.0 1.1
144 3 3 3 37.534 75.068 0.341 3.62 8 79.1 23.6
145 9 4 1 37.786 75.573 0.343 3.58 8 1.5 0.0
146 12 2 0 37.947 75.894 0.344 3.55 4 23.3 1.0
147 12 1 1 37.949 75.898 0.344 3.55 8 7.7 0.2
148 0 6 1 37.987 75.974 0.344 3.55 4 30.2 1.7
149 3 5 2 38.098 76.197 0.345 3.53 8 167.7 103.4
150 1 6 1 38.126 76.253 0.345 3.52 8 29.3 3.1
151 6 2 3 38.423 76.846 0.347 3.48 8 19.3 1.4
152 4 6 0 38.49 76.98 0.348 3.47 4 118.0 25.1
153 7 5 1 38.495 76.99 0.348 3.46 8 62.9 14.3
154 7 4 2 38.501 77.002 0.348 3.46 8 44.9 7.3
155 4 3 3 38.508 77.015 0.348 3.46 8 28.1 2.9
156 7 1 3 38.511 77.022 0.348 3.46 8 18.0 1.2
157 2 6 1 38.543 77.085 0.348 3.46 8 1.6 0.0
158 10 4 0 38.705 77.411 0.35 3.43 4 54.8 5.4
159 10 2 2 38.713 77.427 0.35 3.43 8 32.8 3.9
160 8 5 0 38.857 77.715 0.351 3.41 4 20.3 0.7
161 9 3 2 38.936 77.872 0.351 3.4 8 13.2 0.6
162 4 5 2 39.068 78.135 0.352 3.38 8 8.8 0.3
163 3 6 1 39.233 78.466 0.354 3.36 8 30.1 3.2
164 11 3 1 39.33 78.66 0.354 3.34 8 235.1 192.6
165 11 0 2 39.336 78.672 0.354 3.34 4 276.3 133.1
166 12 2 1 39.659 79.317 0.357 3.3 8 86.9 26.0
167 5 3 3 39.749 79.497 0.357 3.29 8 126.3 54.7
168 11 1 2 39.902 79.805 0.359 3.27 8 121.3 50.1
169 4 6 1 40.195 80.389 0.361 3.23 8 1.7 0.0
170 7 2 3 40.213 80.427 0.361 3.23 8 94.1 29.8
171 0 4 3 40.277 80.554 0.361 3.22 4 153.1 39.4
172 5 5 2 40.304 80.608 0.362 3.22 8 103.4 35.9
173 10 4 1 40.408 80.815 0.362 3.21 8 11.1 0.4
174 1 4 3 40.414 80.828 0.362 3.2 8 69.6 16.2
175 8 5 1 40.558 81.116 0.363 3.19 8 39.5 5.2
176 8 4 2 40.564 81.128 0.364 3.19 8 14.6 0.7
177 8 1 3 40.574 81.147 0.364 3.19 8 10.8 0.4
178 12 3 0 40.785 81.571 0.365 3.16 4 17.4 0.5
179 2 4 3 40.824 81.647 0.365 3.16 8 14.7 0.7
180 6 6 0 41.235 82.47 0.368 3.11 4 28.5 1.3
181 6 3 3 41.252 82.505 0.369 3.11 8 197.7 126.8
182 13 1 1 41.385 82.771 0.37 3.1 8 35.8 4.1
183 5 6 1 41.423 82.846 0.37 3.09 8 10.4 0.3
184 3 4 3 41.505 83.01 0.37 3.09 8 44.4 6.4
185 10 3 2 41.538 83.075 0.371 3.08 8 5.9 0.1
186 11 2 2 41.591 83.181 0.371 3.08 8 28.6 2.6
187 6 5 2 41.803 83.607 0.373 3.06 8 5.5 0.1
188 8 2 3 42.256 84.513 0.376 3.02 8 72.7 16.6
189 4 4 3 42.455 84.91 0.377 3.0 8 36.0 4.0
190 12 3 1 42.469 84.937 0.377 3.0 8 149.9 70.2
191 12 0 2 42.474 84.949 0.377 3.0 4 32.4 1.6
192 14 0 0 42.81 85.62 0.38 2.97 2 53.3 2.2
193 9 5 1 42.869 85.738 0.38 2.96 8 49.5 7.6
194 9 4 2 42.875 85.749 0.38 2.96 8 7.5 0.2
195 9 1 3 42.884 85.769 0.38 2.96 8 54.5 9.2
196 6 6 1 42.915 85.83 0.381 2.96 8 8.4 0.2
197 7 3 3 43.017 86.033 0.381 2.95 8 105.1 34.0
198 12 1 2 43.033 86.065 0.381 2.95 8 129.8 51.8
199 13 2 1 43.063 86.126 0.382 2.95 8 67.5 14.0
200 0 6 2 43.07 86.14 0.382 2.95 4 3.2 0.0
201 0 0 4 43.093 86.186 0.382 2.95 2 171.8 22.7
202 1 6 2 43.205 86.41 0.383 2.94 8 63.7 12.5
203 1 0 4 43.228 86.457 0.383 2.94 4 125.6 24.1
204 11 4 1 43.261 86.523 0.383 2.93 8 18.3 1.0
205 14 1 0 43.368 86.736 0.384 2.93 4 140.9 30.3
206 7 5 2 43.564 87.129 0.385 2.91 8 82.5 20.7
207 2 6 2 43.611 87.221 0.386 2.91 8 150.3 68.5
208 2 0 4 43.634 87.268 0.386 2.91 4 13.6 0.3
209 5 4 3 43.673 87.346 0.386 2.91 8 33.0 3.3
210 10 5 0 43.764 87.528 0.387 2.9 4 5.8 0.1
211 1 1 4 43.786 87.571 0.387 2.9 8 77.0 17.9
212 2 7 0 44.16 88.32 0.389 2.87 4 33.7 1.7
213 2 1 4 44.191 88.382 0.39 2.87 8 62.8 11.8
214 3 6 2 44.286 88.572 0.39 2.87 8 165.5 81.9
215 3 0 4 44.309 88.619 0.39 2.87 4 69.3 7.2
216 11 3 2 44.381 88.762 0.391 2.86 8 14.1 0.6
217 9 2 3 44.556 89.111 0.392 2.85 8 2.8 0.0
218 7 6 1 44.672 89.344 0.393 2.85 8 7.2 0.2
219 12 4 0 44.696 89.392 0.393 2.84 4 17.0 0.4
220 12 2 2 44.704 89.407 0.393 2.84 8 12.9 0.5
221 3 1 4 44.866 89.732 0.394 2.84 8 27.5 2.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 2 1 0 7.952 15.903 6.46577 414.3 54.0 55.1 5.6
2 4 0 0 11.196 22.392 4.60675 527.8 68.8 69.8 5.6
3 2 1 1 12.697 25.394 4.06957 102.1 13.3 13.5 5.6
4 0 2 1 15.118 30.236 3.42955 89.2 11.6 11.7 5.6
5 4 2 0 16.062 32.124 3.23288 529.2 68.9 69.5 5.6
6 2 2 1 16.158 32.317 3.21411 399.0 52.0 52.4 5.6
7 3 2 1 17.38 34.76 2.99441 497.4 64.8 65.1 5.7
8 6 1 0 17.907 35.813 2.90913 699.1 91.1 91.5 5.7
9 2 3 0 18.131 36.262 2.87434 10.0 1.3 1.3 5.7
10 5 1 1 18.223 36.446 2.86033 160.2 20.9 21.0 5.7
11 4 2 1 18.974 37.949 2.75094 423.0 55.1 55.2 5.7
12 1 3 1 20.174 40.349 2.59356 767.6 100.0 100.0 5.7
13 6 1 1 20.593 41.185 2.5431 61.6 8.0 8.0 5.7
14 2 3 1 20.792 41.584 2.51977 695.2 90.6 90.5 5.7
15 5 2 1 20.871 41.742 2.51064 260.5 33.9 33.9 5.7
16 1 1 2 21.028 42.056 2.49276 47.5 6.2 6.2 5.7
17 3 0 2 21.798 43.596 2.40875 258.3 33.6 33.5 5.7
18 3 1 2 22.594 45.187 2.32816 45.1 5.9 5.9 5.7
19 8 0 0 22.85 45.701 2.30338 36.8 4.8 4.8 5.7
20 7 1 1 23.132 46.265 2.2768 51.3 6.7 6.6 5.7
21 1 2 2 23.413 46.826 2.25103 16.2 2.1 2.1 5.7
22 6 3 0 24.52 49.04 2.15526 11.8 1.5 1.5 5.7
23 5 0 2 24.774 49.547 2.13457 693.6 90.4 89.5 5.7
24 3 2 2 24.86 49.72 2.12761 56.3 7.3 7.3 5.7
25 7 2 1 25.362 50.725 2.0882 96.4 12.6 12.4 5.8
26 5 1 2 25.497 50.995 2.07788 121.5 15.8 15.6 5.8
27 1 4 1 25.617 51.234 2.06882 28.6 3.7 3.7 5.8
28 8 2 0 25.816 51.632 2.05394 52.4 6.8 6.7 5.8
29 4 4 0 26.068 52.135 2.03549 36.0 4.7 4.6 5.8
30 2 4 1 26.133 52.265 2.03078 61.5 8.0 7.9 5.8
31 6 3 1 26.666 53.331 1.99307 413.7 53.9 53.1 5.8
32 3 4 1 26.977 53.953 1.97179 16.2 2.1 2.1 5.8
33 5 2 2 27.586 55.172 1.93156 8.0 1.0 1.0 5.8
34 8 2 1 27.89 55.781 1.91214 101.8 13.3 13.0 5.8
35 4 4 1 28.129 56.258 1.89723 19.6 2.6 2.5 5.8
36 7 0 2 28.804 57.607 1.85646 174.7 22.8 22.3 5.8
37 6 2 2 29.358 58.716 1.82445 26.5 3.4 3.4 5.8
38 7 1 2 29.458 58.916 1.81881 18.5 2.4 2.4 5.8
39 5 4 1 29.567 59.133 1.81272 45.5 5.9 5.8 5.8
40 2 5 0 30.148 60.296 1.78097 159.0 20.7 20.2 5.8
41 9 2 1 30.584 61.167 1.75799 13.9 1.8 1.8 5.8
42 8 3 1 31.137 62.274 1.7298 27.1 3.5 3.4 5.8
43 7 2 2 31.37 62.741 1.71824 59.2 7.7 7.5 5.9
44 1 1 3 31.603 63.206 1.70688 29.1 3.8 3.7 5.9
45 8 1 2 31.769 63.538 1.6989 36.4 4.7 4.6 5.9
46 2 5 1 32.038 64.076 1.68613 77.3 10.1 9.8 5.9
47 3 1 3 32.801 65.602 1.65115 41.6 5.4 5.2 5.9
48 7 4 1 33.213 66.425 1.63298 8.1 1.1 1.0 5.9
49 0 2 3 33.298 66.596 1.62928 143.6 18.7 18.1 5.9
50 1 2 3 33.445 66.89 1.62294 102.1 13.3 12.8 5.9
51 8 4 0 33.597 67.194 1.61644 9.4 1.2 1.2 5.9
52 9 3 1 33.674 67.348 1.61318 246.2 32.1 31.0 5.9
53 4 5 1 33.814 67.627 1.60732 8.4 1.1 1.1 5.9
54 9 1 2 34.281 68.562 1.58803 33.5 4.4 4.2 5.9
55 6 5 0 34.917 69.835 1.56266 102.7 13.4 12.9 5.9
56 5 5 1 35.116 70.232 1.55496 35.0 4.6 4.4 5.9
57 12 0 0 35.626 71.252 1.53558 104.0 13.5 13.0 5.9
58 9 2 2 36.054 72.108 1.51978 26.3 3.4 3.3 5.9
59 0 6 0 36.25 72.501 1.51267 208.8 27.2 26.0 5.9
60 10 3 1 36.404 72.807 1.50717 484.6 63.1 60.3 6.0
61 11 2 1 36.459 72.917 1.50522 15.0 2.0 1.9 6.0
62 6 5 1 36.679 73.358 1.49742 26.3 3.4 3.3 6.0
63 2 3 3 36.833 73.666 1.49205 102.3 13.3 12.7 6.0
64 5 2 3 36.888 73.775 1.49015 16.2 2.1 2.0 6.0
65 1 5 2 36.981 73.961 1.48694 29.2 3.8 3.6 6.0
66 3 3 3 37.534 75.068 1.46818 23.6 3.1 2.9 6.0
67 3 5 2 38.098 76.197 1.44966 106.6 13.9 13.2 6.0
68 4 6 0 38.49 76.98 1.43717 50.7 6.6 6.3 6.0
69 10 4 0 38.705 77.411 1.43041 9.2 1.2 1.1 6.0
70 11 3 1 39.33 78.66 1.4113 325.7 42.4 40.1 6.0
71 12 2 1 39.659 79.317 1.40151 26.0 3.4 3.2 6.0
72 5 3 3 39.749 79.497 1.39886 54.7 7.1 6.7 6.0
73 11 1 2 39.902 79.805 1.39437 50.1 6.5 6.2 6.0
74 7 2 3 40.213 80.427 1.38539 29.8 3.9 3.7 6.0
75 0 4 3 40.277 80.554 1.38357 75.3 9.8 9.2 6.1
76 1 4 3 40.414 80.828 1.37969 16.2 2.1 2.0 6.1
77 6 3 3 41.252 82.505 1.35652 128.1 16.7 15.6 6.1
78 8 2 3 42.256 84.513 1.33015 16.6 2.2 2.0 6.1
79 12 3 1 42.469 84.937 1.32476 75.9 9.9 9.2 6.1
80 9 1 3 42.884 85.769 1.31438 16.9 2.2 2.0 6.1
81 12 1 2 43.033 86.065 1.31073 85.8 11.2 10.4 6.1
82 0 0 4 43.093 86.186 1.30925 36.7 4.8 4.4 6.1
83 1 0 4 43.228 86.457 1.30596 36.6 4.8 4.4 6.1
84 14 1 0 43.368 86.736 1.30259 30.3 3.9 3.7 6.1
85 7 5 2 43.564 87.129 1.29788 20.7 2.7 2.5 6.2
86 2 6 2 43.611 87.221 1.29678 68.8 9.0 8.3 6.2
87 1 1 4 43.786 87.571 1.29264 17.9 2.3 2.2 6.2
88 2 1 4 44.191 88.382 1.28321 11.8 1.5 1.4 6.2
89 3 6 2 44.286 88.572 1.28102 89.0 11.6 10.7 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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