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
3, t-hypersthene, at 400'C, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-enstatite
FeSiO(3)
Orthorhombic P bca Z = 16
Pbca
12 .3 .1991
Ref.Str.:
Sueno S., Cameron M., Prewitt C.T. (1976)
* Amer. Mineral., 61, 38-53
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 18.484 alpha = 90.0
b = 9.124 beta = 90.0
c = 5.2593 gamma = 90.0
Unit cell volume (cub. angs.) = 886.97
Molar volume ( cub.cm/mol.) = 33.39
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3755 0.6528 0.8823 1.09 Fe = 1.00
2 0.3772 0.4868 0.3748 1.48 Fe = 1.00
3 0.2722 0.3384 0.0562 0.86 Si = 1.00
4 0.4736 0.3348 0.7862 0.82 Si = 1.00
5 0.1852 0.3386 0.049 1.18 O = 1.00
6 0.3113 0.4951 0.0695 1.33 O = 1.00
7 0.3022 0.2406 0.8204 1.44 O = 1.00
8 0.5613 0.338 0.7838 1.22 O = 1.00
9 0.4334 0.4806 0.6965 1.39 O = 1.00
10 0.4481 0.2073 0.5782 1.26 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3755 0.6528 0.8823
2 2 0.3772 0.4868 0.3748
3 3 0.2722 0.3384 0.0562
4 4 0.4736 0.3348 0.7862
5 5 0.1852 0.3386 0.049
6 6 0.3113 0.4951 0.0695
7 7 0.3022 0.2406 0.8204
8 8 0.5613 0.338 0.7838
9 9 0.4334 0.4806 0.6965
10 10 0.4481 0.2073 0.5782
11 1 0.1245 0.3472 0.3823
12 2 0.1228 0.5132 0.8748
13 3 0.2278 0.6616 0.5562
14 4 0.0264 0.6652 0.2862
15 5 0.3148 0.6614 0.549
16 6 0.1887 0.5049 0.5695
17 7 0.1978 0.7594 0.3204
18 8 0.9387 0.662 0.2838
19 9 0.0666 0.5194 0.1965
20 10 0.0519 0.7927 0.0782
21 1 0.1245 0.1528 0.8823
22 2 0.1228 0.9868 0.3748
23 3 0.2278 0.8384 0.0562
24 4 0.0264 0.8348 0.7862
25 5 0.3148 0.8386 0.049
26 6 0.1887 0.9951 0.0695
27 7 0.1978 0.7406 0.8204
28 8 0.9387 0.838 0.7838
29 9 0.0666 0.9806 0.6965
30 10 0.0519 0.7073 0.5782
31 1 0.3755 0.8472 0.3823
32 2 0.3772 0.0132 0.8748
33 3 0.2722 0.1616 0.5562
34 4 0.4736 0.1652 0.2862
35 5 0.1852 0.1614 0.549
36 6 0.3113 0.0049 0.5695
37 7 0.3022 0.2594 0.3204
38 8 0.5613 0.162 0.2838
39 9 0.4334 0.0194 0.1965
40 10 0.4481 0.2927 0.0782
41 1 0.8755 0.6528 0.6177
42 2 0.8772 0.4868 0.1252
43 3 0.7722 0.3384 0.4438
44 4 0.9736 0.3348 0.7138
45 5 0.6852 0.3386 0.451
46 6 0.8113 0.4951 0.4305
47 7 0.8022 0.2406 0.6796
48 8 0.0613 0.338 0.7162
49 9 0.9334 0.4806 0.8035
50 10 0.9481 0.2073 0.9218
51 1 0.6245 0.3472 0.1177
52 2 0.6228 0.5132 0.6252
53 3 0.7278 0.6616 0.9438
54 4 0.5264 0.6652 0.2138
55 5 0.8148 0.6614 0.951
56 6 0.6887 0.5049 0.9305
57 7 0.6978 0.7594 0.1796
58 8 0.4387 0.662 0.2162
59 9 0.5666 0.5194 0.3035
60 10 0.5519 0.7927 0.4218
61 1 0.6245 0.1528 0.6177
62 2 0.6228 0.9868 0.1252
63 3 0.7278 0.8384 0.4438
64 4 0.5264 0.8348 0.7138
65 5 0.8148 0.8386 0.451
66 6 0.6887 0.9951 0.4305
67 7 0.6978 0.7406 0.6796
68 8 0.4387 0.838 0.7162
69 9 0.5666 0.9806 0.8035
70 10 0.5519 0.7073 0.9218
71 1 0.8755 0.8472 0.1177
72 2 0.8772 0.0132 0.6252
73 3 0.7722 0.1616 0.9438
74 4 0.9736 0.1652 0.2138
75 5 0.6852 0.1614 0.951
76 6 0.8113 0.0049 0.9305
77 7 0.8022 0.2594 0.1796
78 8 0.0613 0.162 0.2162
79 9 0.9334 0.0194 0.3035
80 10 0.9481 0.2927 0.4218
X-ray density (g/cm cub.) = 3.95
MU (1/cm) = 192.349 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
2.109 6
2.1375 9
2.0827 5
2.2139 5
2.1108 8
2.2323 8
2 Fe 2.592 5
2.0168 6
1.9862 9
2.1697 5
2.5117 7
2.1315 8
3 Si 2.1 4
1.6086 5
1.6035 6
1.6253 7
1.6607 7
4 Si 2.1 4
1.6214 8
1.5951 9
1.665 10
1.6517 10
5 O 3.264 11
2.7356 6
2.631 7
3.1305 6
2.9438 6
2.8511 9
3.1366 6
3.0869 5
3.0869 5
2.6901 7
2.8824 8
2.935 8
6 O 3.264 9
2.7356 5
2.6714 7
2.9932 9
2.9438 5
3.1305 5
3.1366 5
2.5287 7
3.1315 10
2.9085 8
7 O 3.264 8
2.631 5
2.6714 6
2.9979 10
2.6901 5
2.5287 6
2.6352 7
2.6352 7
3.0557 10
8 O 3.264 10
2.7373 9
2.64 10
3.0812 8
3.0812 8
2.6356 10
2.8824 5
2.9085 6
3.1968 9
3.0216 9
2.935 5
9 O 3.264 9
2.9932 6
2.7373 8
2.5844 10
2.8511 5
2.6539 10
3.1968 8
3.0216 8
3.2341 9
3.2373 10
10 O 3.264 10
2.9979 7
2.64 8
2.5844 9
3.1315 6
3.0557 7
2.6356 8
2.6539 9
2.7427 10
2.7427 10
3.2373 9
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 5.554 11.108 0.054 210.55 2 4.3 1.0
2 2 1 0 7.918 15.836 0.077 102.44 4 85.4 380.2
3 4 0 0 11.161 22.322 0.108 50.48 2 190.4 465.4
4 0 2 0 11.307 22.614 0.11 49.13 2 12.8 2.0
5 1 1 1 11.664 23.329 0.113 46.04 8 11.2 5.9
6 4 1 0 12.531 25.063 0.121 39.61 4 9.3 1.8
7 2 2 0 12.63 25.26 0.122 38.97 4 2.6 0.1
8 2 1 1 12.642 25.285 0.122 38.89 8 43.7 75.7
9 3 1 1 14.132 28.263 0.136 30.72 8 8.5 2.3
10 0 2 1 15.043 30.087 0.145 26.88 4 59.1 47.7
11 1 2 1 15.309 30.618 0.148 25.89 8 18.2 8.7
12 4 2 0 15.993 31.986 0.154 23.56 4 197.1 465.5
13 4 1 1 16.003 32.006 0.154 23.53 8 58.1 80.8
14 2 2 1 16.082 32.163 0.155 23.28 8 134.5 428.4
15 6 0 0 16.879 33.757 0.162 20.96 2 28.5 4.3
16 3 2 1 17.301 34.602 0.166 19.87 8 158.0 504.6
17 6 1 0 17.845 35.691 0.171 18.57 4 263.0 652.7
18 2 3 0 18.036 36.072 0.173 18.14 4 38.2 13.5
19 5 1 1 18.154 36.308 0.174 17.88 8 89.6 146.0
20 4 2 1 18.892 37.783 0.181 16.38 8 148.3 366.5
21 0 0 2 19.886 39.771 0.19 14.62 2 10.2 0.4
22 1 3 1 20.07 40.14 0.192 14.32 8 196.4 561.8
23 1 0 2 20.094 40.189 0.192 14.29 4 121.4 107.0
24 6 2 0 20.509 41.017 0.196 13.65 4 17.7 2.2
25 6 1 1 20.517 41.033 0.196 13.64 8 59.8 49.6
26 4 3 0 20.615 41.23 0.197 13.49 4 22.8 3.6
27 2 3 1 20.686 41.373 0.197 13.39 8 173.2 408.3
28 2 0 2 20.71 41.421 0.198 13.35 4 173.1 203.5
29 5 2 1 20.783 41.567 0.198 13.25 8 136.9 252.6
30 1 1 2 20.933 41.867 0.2 13.04 8 60.7 48.8
31 2 1 2 21.53 43.059 0.205 12.24 8 20.3 5.1
32 3 3 1 21.682 43.364 0.207 12.05 8 61.3 46.0
33 3 0 2 21.705 43.41 0.207 12.02 4 210.4 270.6
34 3 1 2 22.495 44.99 0.214 11.09 8 60.0 40.6
35 8 0 0 22.776 45.552 0.216 10.79 2 112.4 34.6
36 6 2 1 22.92 45.84 0.218 10.63 8 13.4 1.9
37 4 3 1 23.017 46.034 0.219 10.53 8 46.9 23.5
38 4 0 2 23.039 46.079 0.219 10.51 4 17.3 1.6
39 7 1 1 23.048 46.097 0.219 10.5 8 54.0 31.1
40 0 4 0 23.087 46.175 0.219 10.46 2 26.0 1.8
41 0 2 2 23.117 46.234 0.219 10.43 4 5.2 0.1
42 1 2 2 23.302 46.604 0.221 10.24 8 36.4 13.8
43 8 1 0 23.537 47.075 0.223 10.01 4 0.0 0.0
44 4 1 2 23.794 47.589 0.226 9.77 8 38.6 14.8
45 2 4 0 23.822 47.645 0.226 9.74 4 11.5 0.7
46 2 2 2 23.851 47.702 0.226 9.72 8 1.6 0.0
47 6 3 0 24.411 48.822 0.231 9.22 4 44.1 9.1
48 5 3 1 24.651 49.302 0.233 9.01 8 169.9 264.7
49 5 0 2 24.672 49.344 0.233 9.0 4 251.0 288.3
50 3 2 2 24.745 49.491 0.234 8.94 8 72.7 48.0
51 7 2 1 25.261 50.522 0.239 8.53 8 103.4 92.7
52 0 4 1 25.304 50.609 0.239 8.49 4 8.7 0.3
53 5 1 2 25.39 50.78 0.24 8.43 8 109.3 102.4
54 1 4 1 25.478 50.955 0.24 8.36 8 55.3 26.0
55 8 2 0 25.718 51.437 0.243 8.18 4 84.8 29.9
56 8 1 1 25.725 51.45 0.243 8.18 8 45.4 17.2
57 4 4 0 25.932 51.864 0.244 8.03 4 73.3 21.9
58 4 2 2 25.959 51.918 0.245 8.01 8 14.5 1.7
59 2 4 1 25.992 51.984 0.245 7.99 8 80.0 52.0
60 6 3 1 26.545 53.09 0.25 7.62 8 185.5 266.6
61 6 0 2 26.565 53.13 0.25 7.6 4 1.6 0.0
62 3 4 1 26.834 53.668 0.252 7.43 8 46.6 16.4
63 1 3 2 26.889 53.777 0.253 7.4 8 3.5 0.1
64 6 1 2 27.247 54.495 0.256 7.18 8 1.0 0.0
65 2 3 2 27.384 54.769 0.257 7.09 8 3.4 0.1
66 5 2 2 27.463 54.926 0.258 7.05 8 29.2 6.1
67 8 2 1 27.78 55.561 0.261 6.87 8 112.3 88.1
68 4 4 1 27.983 55.967 0.262 6.75 8 52.7 19.1
69 3 3 2 28.198 56.395 0.264 6.64 8 35.2 8.4
70 9 1 1 28.536 57.073 0.267 6.46 8 3.2 0.1
71 7 3 1 28.669 57.339 0.268 6.39 8 69.9 31.8
72 7 0 2 28.688 57.376 0.268 6.38 4 198.9 128.4
73 10 0 0 28.941 57.882 0.271 6.26 2 7.3 0.1
74 8 3 0 29.089 58.179 0.272 6.19 4 5.3 0.1
75 6 4 0 29.204 58.409 0.273 6.13 4 2.2 0.0
76 6 2 2 29.229 58.458 0.273 6.12 8 59.2 21.8
77 4 3 2 29.311 58.622 0.274 6.08 8 40.4 10.1
78 7 1 2 29.337 58.675 0.274 6.07 8 41.2 10.5
79 5 4 1 29.417 58.834 0.275 6.03 8 84.1 43.4
80 10 1 0 29.587 59.173 0.276 5.96 4 40.8 5.0
81 2 5 0 29.976 59.951 0.279 5.78 4 224.3 148.0
82 9 2 1 30.464 60.928 0.283 5.58 8 57.5 18.8
83 5 3 2 30.705 61.411 0.285 5.48 8 23.0 3.0
84 8 3 1 31.002 62.003 0.288 5.37 8 68.2 25.4
85 8 0 2 31.02 62.039 0.288 5.36 4 27.0 2.0
86 6 4 1 31.112 62.224 0.289 5.32 8 30.5 5.1
87 7 2 2 31.234 62.469 0.29 5.28 8 96.9 50.4
88 0 4 2 31.272 62.544 0.29 5.26 4 18.4 0.9
89 1 5 1 31.405 62.81 0.291 5.22 8 16.4 1.4
90 1 4 2 31.423 62.846 0.291 5.21 8 36.3 7.0
91 1 1 3 31.453 62.906 0.292 5.2 8 27.5 4.0
92 10 2 0 31.475 62.949 0.292 5.19 4 29.3 2.3
93 10 1 1 31.481 62.961 0.292 5.19 8 25.4 3.4
94 8 1 2 31.64 63.279 0.293 5.13 8 65.2 22.2
95 4 5 0 31.803 63.606 0.295 5.07 4 7.8 0.2
96 2 5 1 31.856 63.712 0.295 5.06 8 72.7 27.2
97 2 4 2 31.874 63.747 0.295 5.05 8 70.4 25.4
98 2 1 3 31.903 63.806 0.295 5.04 8 60.8 19.0
99 6 3 2 32.361 64.722 0.299 4.89 8 7.8 0.3
100 3 5 1 32.599 65.199 0.301 4.81 8 43.9 9.4
101 3 4 2 32.617 65.234 0.301 4.8 8 37.8 7.0
102 3 1 3 32.646 65.292 0.302 4.79 8 45.3 10.0
103 7 4 1 33.051 66.101 0.305 4.67 8 37.8 6.8
104 0 2 3 33.134 66.267 0.306 4.64 4 251.6 149.5
105 1 2 3 33.28 66.56 0.307 4.6 8 103.9 50.5
106 10 2 1 33.307 66.614 0.307 4.59 8 29.0 3.9
107 8 4 0 33.438 66.876 0.308 4.56 4 59.9 8.3
108 8 2 2 33.461 66.922 0.308 4.55 8 8.8 0.4
109 9 3 1 33.529 67.058 0.309 4.53 8 168.7 131.1
110 9 0 2 33.546 67.092 0.309 4.52 4 188.3 81.5
111 4 5 1 33.626 67.252 0.31 4.5 8 30.9 4.4
112 4 4 2 33.643 67.286 0.31 4.5 8 9.2 0.4
113 4 1 3 33.672 67.344 0.31 4.49 8 1.0 0.0
114 2 2 3 33.717 67.434 0.31 4.48 8 8.3 0.3
115 9 1 2 34.141 68.283 0.314 4.36 8 80.0 28.4
116 7 3 2 34.262 68.523 0.315 4.33 8 10.6 0.5
117 3 2 3 34.44 68.88 0.316 4.28 8 30.3 4.0
118 10 3 0 34.491 68.981 0.317 4.27 4 4.1 0.0
119 11 1 1 34.565 69.131 0.317 4.25 8 16.1 1.1
120 6 5 0 34.73 69.46 0.318 4.21 4 168.4 60.7
121 5 5 1 34.923 69.847 0.32 4.16 8 77.9 25.7
122 5 4 2 34.94 69.88 0.32 4.16 8 15.8 1.1
123 5 1 3 34.969 69.937 0.32 4.15 8 41.4 7.3
124 8 4 1 35.218 70.435 0.322 4.09 8 10.0 0.4
125 4 2 3 35.44 70.88 0.324 4.04 8 25.8 2.7
126 12 0 0 35.499 70.999 0.325 4.03 2 281.0 80.9
127 9 2 2 35.899 71.798 0.328 3.94 8 75.8 23.0
128 0 6 0 36.03 72.059 0.329 3.91 2 380.3 143.8
129 12 1 0 36.08 72.159 0.329 3.9 4 6.5 0.1
130 1 3 3 36.221 72.441 0.33 3.87 8 169.8 113.6
131 10 3 1 36.247 72.493 0.331 3.87 8 206.9 168.3
132 10 0 2 36.263 72.526 0.331 3.86 4 20.2 0.8
133 11 2 1 36.314 72.628 0.331 3.85 8 51.7 10.5
134 8 3 2 36.395 72.79 0.332 3.84 8 16.6 1.1
135 6 5 1 36.481 72.961 0.332 3.82 8 60.4 14.2
136 6 4 2 36.497 72.995 0.332 3.82 8 30.0 3.5
137 6 1 3 36.525 73.05 0.333 3.81 8 31.7 3.9
138 2 6 0 36.592 73.184 0.333 3.8 4 18.3 0.6
139 2 3 3 36.642 73.284 0.334 3.79 8 175.3 118.5
140 5 2 3 36.709 73.418 0.334 3.78 8 44.3 7.5
141 1 5 2 36.769 73.537 0.335 3.76 8 69.1 18.3
142 10 1 2 36.839 73.677 0.335 3.75 8 12.6 0.6
143 2 5 2 37.188 74.375 0.338 3.69 8 0.8 0.0
144 3 3 3 37.34 74.68 0.339 3.66 8 56.5 11.9
145 9 4 1 37.606 75.211 0.341 3.61 8 5.4 0.1
146 0 6 1 37.756 75.511 0.342 3.58 4 6.4 0.1
147 12 2 0 37.799 75.599 0.343 3.58 4 14.1 0.4
148 12 1 1 37.805 75.61 0.343 3.58 8 11.1 0.4
149 3 5 2 37.882 75.764 0.343 3.56 8 145.6 76.8
150 1 6 1 37.894 75.788 0.343 3.56 8 5.0 0.1
151 6 2 3 38.237 76.475 0.346 3.51 8 15.8 0.9
152 4 6 0 38.26 76.52 0.346 3.5 4 100.1 17.8
153 7 5 1 38.289 76.577 0.346 3.5 8 64.2 14.7
154 7 4 2 38.305 76.61 0.346 3.49 8 43.9 6.8
155 2 6 1 38.309 76.617 0.347 3.49 8 2.9 0.0
156 4 3 3 38.309 76.619 0.347 3.49 8 25.2 2.3
157 7 1 3 38.332 76.665 0.347 3.49 8 13.2 0.6
158 10 4 0 38.524 77.049 0.348 3.46 4 40.1 2.8
159 10 2 2 38.546 77.092 0.348 3.46 8 35.0 4.3
160 8 5 0 38.653 77.307 0.349 3.44 4 16.1 0.5
161 9 3 2 38.755 77.511 0.35 3.43 8 17.0 1.0
162 4 5 2 38.847 77.694 0.351 3.41 8 13.4 0.6
163 3 6 1 38.996 77.993 0.352 3.39 8 26.7 2.4
164 11 3 1 39.159 78.319 0.353 3.37 8 205.1 144.0
165 11 0 2 39.176 78.351 0.353 3.36 4 219.1 82.1
166 12 2 1 39.499 78.997 0.356 3.32 8 65.0 14.3
167 5 3 3 39.545 79.089 0.356 3.31 8 88.9 26.6
168 11 1 2 39.737 79.473 0.357 3.29 8 110.0 40.5
169 4 6 1 39.953 79.907 0.359 3.26 8 7.3 0.2
170 7 2 3 40.019 80.038 0.359 3.25 8 71.3 16.8
171 0 4 3 40.053 80.106 0.36 3.25 4 144.4 34.4
172 5 5 2 40.077 80.155 0.36 3.25 8 87.0 25.0
173 1 4 3 40.189 80.379 0.361 3.23 8 44.0 6.4
174 10 4 1 40.214 80.429 0.361 3.23 8 6.0 0.1
175 8 5 1 40.342 80.684 0.362 3.21 8 30.9 3.1
176 8 4 2 40.358 80.716 0.362 3.21 8 5.7 0.1
177 8 1 3 40.385 80.77 0.362 3.21 8 10.2 0.3
178 2 4 3 40.597 81.194 0.364 3.18 8 13.0 0.5
179 12 3 0 40.611 81.222 0.364 3.18 4 11.1 0.2
180 6 6 0 40.992 81.985 0.367 3.14 4 19.4 0.6
181 6 3 3 41.041 82.081 0.367 3.13 8 180.8 104.1
182 5 6 1 41.176 82.351 0.368 3.12 8 4.5 0.1
183 13 1 1 41.224 82.447 0.368 3.11 8 30.8 3.0
184 3 4 3 41.275 82.55 0.369 3.11 8 24.0 1.8
185 10 3 2 41.344 82.688 0.369 3.1 8 3.9 0.0
186 11 2 2 41.409 82.818 0.37 3.1 8 20.8 1.4
187 6 5 2 41.569 83.138 0.371 3.08 8 17.8 1.0
188 8 2 3 42.052 84.103 0.374 3.03 8 68.3 14.4
189 4 4 3 42.22 84.44 0.376 3.02 8 33.8 3.5
190 12 3 1 42.281 84.563 0.376 3.01 8 135.2 56.0
191 12 0 2 42.297 84.595 0.376 3.01 4 5.7 0.1
192 9 5 1 42.641 85.281 0.379 2.98 8 43.7 5.8
193 14 0 0 42.647 85.293 0.379 2.98 2 38.1 1.1
194 9 4 2 42.657 85.313 0.379 2.98 8 6.8 0.1
195 6 6 1 42.66 85.32 0.379 2.98 8 8.9 0.2
196 9 1 3 42.683 85.366 0.379 2.98 8 32.3 3.2
197 7 3 3 42.795 85.591 0.38 2.97 8 84.6 21.6
198 0 6 2 42.802 85.605 0.38 2.97 4 11.4 0.2
199 12 1 2 42.85 85.7 0.38 2.97 8 117.1 41.4
200 0 0 4 42.866 85.732 0.38 2.96 2 138.9 14.5
201 13 2 1 42.885 85.769 0.38 2.96 8 57.9 10.1
202 1 6 2 42.937 85.874 0.381 2.96 8 39.9 4.8
203 1 0 4 43.001 86.001 0.381 2.95 4 94.3 13.4
204 11 4 1 43.053 86.105 0.382 2.95 8 14.8 0.7
205 14 1 0 43.199 86.397 0.383 2.94 4 128.3 24.6
206 7 5 2 43.321 86.641 0.384 2.93 8 66.2 13.0
207 2 6 2 43.34 86.68 0.384 2.93 8 133.3 52.9
208 2 0 4 43.404 86.808 0.384 2.92 4 26.9 1.1
209 5 4 3 43.431 86.862 0.384 2.92 8 17.9 1.0
210 10 5 0 43.535 87.069 0.385 2.92 4 4.6 0.0
211 1 1 4 43.552 87.105 0.385 2.91 8 78.9 18.5
212 2 7 0 43.87 87.74 0.387 2.89 4 18.5 0.5
213 2 1 4 43.955 87.91 0.388 2.89 8 61.6 11.2
214 3 6 2 44.012 88.024 0.388 2.88 8 159.6 74.7
215 3 0 4 44.076 88.151 0.389 2.88 4 81.8 9.8
216 11 3 2 44.171 88.343 0.39 2.87 8 10.8 0.3
217 9 2 3 44.338 88.675 0.391 2.86 8 4.4 0.1
218 7 6 1 44.407 88.814 0.391 2.86 8 12.8 0.5
219 12 4 0 44.483 88.966 0.392 2.86 4 14.4 0.3
220 12 2 2 44.504 89.008 0.392 2.85 8 13.7 0.5
221 3 1 4 44.626 89.253 0.393 2.85 8 16.7 0.8
222 8 6 0 44.762 89.525 0.394 2.84 4 135.6 26.6
223 8 3 3 44.81 89.62 0.394 2.84 8 15.5 0.7
224 14 2 0 44.852 89.704 0.394 2.84 4 0.0 0.0
225 14 1 1 44.857 89.714 0.394 2.84 8 43.7 5.5
226 6 4 3 44.908 89.816 0.395 2.83 8 8.1 0.2
227 4 6 2 44.951 89.902 0.395 2.83 8 8.1 0.2
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 7.918 15.836 6.49296 380.2 56.9 58.0 5.6
2 4 0 0 11.161 22.322 4.621 465.4 69.6 70.7 5.6
3 2 1 1 12.642 25.285 4.08681 75.7 11.3 11.5 5.6
4 0 2 1 15.043 30.087 3.44618 47.7 7.1 7.2 5.6
5 1 2 1 15.309 30.618 3.3878 8.7 1.3 1.3 5.6
6 4 2 0 15.993 31.986 3.24648 546.3 81.7 82.3 5.6
7 2 2 1 16.082 32.163 3.229 428.4 64.1 64.5 5.6
8 3 2 1 17.301 34.602 3.00768 504.6 75.4 75.8 5.7
9 6 1 0 17.845 35.691 2.91878 652.7 97.6 98.0 5.7
10 2 3 0 18.036 36.072 2.88893 13.5 2.0 2.0 5.7
11 5 1 1 18.154 36.308 2.87079 146.0 21.8 21.9 5.7
12 4 2 1 18.892 37.783 2.76255 366.5 54.8 54.9 5.7
13 1 3 1 20.07 40.14 2.60651 668.8 100.0 100.0 5.7
14 6 1 1 20.517 41.033 2.5521 51.8 7.7 7.7 5.7
15 2 3 1 20.686 41.373 2.53207 611.8 91.5 91.4 5.7
16 5 2 1 20.783 41.567 2.52076 252.6 37.8 37.7 5.7
17 1 1 2 20.933 41.867 2.50351 48.8 7.3 7.3 5.7
18 3 0 2 21.705 43.41 2.41858 316.6 47.3 47.2 5.7
19 3 1 2 22.495 44.99 2.33784 40.6 6.1 6.0 5.7
20 8 0 0 22.776 45.552 2.3105 34.6 5.2 5.1 5.7
21 4 3 1 23.017 46.034 2.28758 25.2 3.8 3.7 5.7
22 7 1 1 23.048 46.097 2.28466 31.1 4.7 4.6 5.7
23 1 2 2 23.302 46.604 2.26115 13.8 2.1 2.1 5.7
24 4 1 2 23.794 47.589 2.217 15.5 2.3 2.3 5.7
25 6 3 0 24.411 48.822 2.16432 9.1 1.4 1.3 5.7
26 5 0 2 24.672 49.344 2.14282 552.9 82.7 81.8 5.7
27 3 2 2 24.745 49.491 2.13685 48.0 7.2 7.1 5.7
28 7 2 1 25.261 50.522 2.09601 92.7 13.9 13.7 5.8
29 5 1 2 25.39 50.78 2.08607 102.4 15.3 15.1 5.8
30 1 4 1 25.478 50.955 2.07937 26.0 3.9 3.8 5.8
31 8 2 0 25.718 51.437 2.06121 47.1 7.0 6.9 5.8
32 4 4 0 25.932 51.864 2.04538 23.6 3.5 3.5 5.8
33 2 4 1 25.992 51.984 2.04099 52.0 7.8 7.7 5.8
34 6 3 1 26.545 53.09 2.00147 266.6 39.9 39.3 5.8
35 3 4 1 26.834 53.668 1.98149 16.4 2.5 2.4 5.8
36 8 2 1 27.78 55.561 1.91909 88.1 13.2 12.9 5.8
37 4 4 1 27.983 55.967 1.9063 19.1 2.8 2.8 5.8
38 3 3 2 28.198 56.395 1.89298 8.4 1.2 1.2 5.8
39 7 0 2 28.688 57.376 1.86329 160.2 24.0 23.5 5.8
40 6 2 2 29.229 58.458 1.83177 21.8 3.3 3.2 5.8
41 7 1 2 29.337 58.675 1.82561 20.6 3.1 3.0 5.8
42 5 4 1 29.417 58.834 1.82112 43.4 6.5 6.3 5.8
43 2 5 0 29.976 59.951 1.79024 148.0 22.1 21.6 5.8
44 9 2 1 30.464 60.928 1.76424 18.8 2.8 2.7 5.8
45 8 3 1 31.002 62.003 1.73661 27.4 4.1 4.0 5.8
46 7 2 2 31.234 62.469 1.72496 50.4 7.5 7.3 5.8
47 1 4 2 31.423 62.846 1.71565 8.4 1.3 1.2 5.9
48 1 1 3 31.453 62.906 1.71419 9.7 1.4 1.4 5.9
49 8 1 2 31.64 63.279 1.70512 22.2 3.3 3.2 5.9
50 2 5 1 31.856 63.712 1.69474 52.6 7.9 7.6 5.9
51 2 1 3 31.903 63.806 1.69249 19.0 2.8 2.8 5.9
52 3 5 1 32.599 65.199 1.66021 16.4 2.5 2.4 5.9
53 3 1 3 32.646 65.292 1.6581 10.0 1.5 1.5 5.9
54 7 4 1 33.051 66.101 1.64007 6.8 1.0 1.0 5.9
55 0 2 3 33.134 66.267 1.63643 149.5 22.4 21.6 5.9
56 1 2 3 33.28 66.56 1.63005 54.4 8.1 7.9 5.9
57 8 4 0 33.438 66.876 1.62324 8.7 1.3 1.3 5.9
58 9 3 1 33.529 67.058 1.61935 212.6 31.8 30.7 5.9
59 9 1 2 34.141 68.283 1.59373 28.4 4.2 4.1 5.9
60 6 5 0 34.73 69.46 1.57003 60.7 9.1 8.7 5.9
61 5 5 1 34.923 69.847 1.56243 26.8 4.0 3.8 5.9
62 5 1 3 34.969 69.937 1.56067 7.3 1.1 1.0 5.9
63 12 0 0 35.499 70.999 1.54033 80.9 12.1 11.6 5.9
64 9 2 2 35.899 71.798 1.52545 23.0 3.4 3.3 5.9
65 0 6 0 36.03 72.059 1.52067 143.8 21.5 20.6 5.9
66 10 3 1 36.247 72.493 1.5128 281.9 42.1 40.3 5.9
67 11 2 1 36.314 72.628 1.51038 10.5 1.6 1.5 6.0
68 6 5 1 36.481 72.961 1.50443 17.7 2.6 2.5 6.0
69 2 3 3 36.642 73.284 1.49873 118.5 17.7 16.9 6.0
70 5 2 3 36.709 73.418 1.49638 7.5 1.1 1.1 6.0
71 1 5 2 36.769 73.537 1.49429 18.3 2.7 2.6 6.0
72 3 3 3 37.34 74.68 1.47469 11.9 1.8 1.7 6.0
73 3 5 2 37.882 75.764 1.45669 76.9 11.5 10.9 6.0
74 4 6 0 38.26 76.52 1.44446 32.5 4.9 4.6 6.0
75 7 4 2 38.305 76.61 1.44303 9.7 1.5 1.4 6.0
76 10 2 2 38.546 77.092 1.4354 7.1 1.1 1.0 6.0
77 11 3 1 39.159 78.319 1.41645 226.1 33.8 31.9 6.0
78 12 2 1 39.499 78.997 1.40625 14.3 2.1 2.0 6.0
79 5 3 3 39.545 79.089 1.40489 26.6 4.0 3.8 6.0
80 11 1 2 39.737 79.473 1.39921 40.5 6.1 5.7 6.0
81 7 2 3 40.019 80.038 1.39098 16.8 2.5 2.4 6.0
82 0 4 3 40.053 80.106 1.39 59.4 8.9 8.4 6.0
83 6 3 3 41.041 82.081 1.36227 104.1 15.6 14.6 6.1
84 8 2 3 42.052 84.103 1.33541 14.4 2.2 2.0 6.1
85 12 3 1 42.281 84.563 1.32951 56.1 8.4 7.8 6.1
86 9 5 1 42.641 85.281 1.32044 7.3 1.1 1.0 6.1
87 7 3 3 42.795 85.591 1.31658 21.8 3.3 3.0 6.1
88 12 1 2 42.85 85.7 1.31522 55.9 8.4 7.8 6.1
89 13 2 1 42.885 85.769 1.31437 10.1 1.5 1.4 6.1
90 1 0 4 43.001 86.001 1.31151 13.4 2.0 1.9 6.1
91 14 1 0 43.199 86.397 1.30668 24.6 3.7 3.4 6.1
92 2 6 2 43.34 86.68 1.30325 66.0 9.9 9.1 6.1
93 1 1 4 43.552 87.105 1.29817 18.5 2.8 2.6 6.1
94 2 1 4 43.955 87.91 1.28867 11.2 1.7 1.5 6.2
95 3 6 2 44.012 88.024 1.28735 74.7 11.2 10.3 6.2
96 3 0 4 44.076 88.151 1.28587 9.8 1.5 1.3 6.2
97 8 6 0 44.762 89.525 1.27024 26.6 4.0 3.6 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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