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
4, t-hypersthene, at 600'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 = 18.527 alpha = 90.0
b = 9.145 beta = 90.0
c = 5.2756 gamma = 90.0
Unit cell volume (cub. angs.) = 893.84
Molar volume ( cub.cm/mol.) = 33.65
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3752 0.652 0.8869 1.42 Fe = 1.00
2 0.3771 0.4876 0.3805 2.01 Fe = 1.00
3 0.2724 0.3376 0.0598 1.09 Si = 1.00
4 0.4741 0.3376 0.7827 1.09 Si = 1.00
5 0.1854 0.3393 0.0532 1.45 O = 1.00
6 0.3112 0.4932 0.0756 1.92 O = 1.00
7 0.3014 0.2434 0.8192 1.8 O = 1.00
8 0.5613 0.3379 0.7812 1.72 O = 1.00
9 0.434 0.4825 0.7011 1.79 O = 1.00
10 0.4487 0.21 0.5719 1.76 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3752 0.652 0.8869
2 2 0.3771 0.4876 0.3805
3 3 0.2724 0.3376 0.0598
4 4 0.4741 0.3376 0.7827
5 5 0.1854 0.3393 0.0532
6 6 0.3112 0.4932 0.0756
7 7 0.3014 0.2434 0.8192
8 8 0.5613 0.3379 0.7812
9 9 0.434 0.4825 0.7011
10 10 0.4487 0.21 0.5719
11 1 0.1248 0.348 0.3869
12 2 0.1229 0.5124 0.8805
13 3 0.2276 0.6624 0.5598
14 4 0.0259 0.6624 0.2827
15 5 0.3146 0.6607 0.5532
16 6 0.1888 0.5068 0.5756
17 7 0.1986 0.7566 0.3192
18 8 0.9387 0.6621 0.2812
19 9 0.066 0.5175 0.2011
20 10 0.0513 0.79 0.0719
21 1 0.1248 0.152 0.8869
22 2 0.1229 0.9876 0.3805
23 3 0.2276 0.8376 0.0598
24 4 0.0259 0.8376 0.7827
25 5 0.3146 0.8393 0.0532
26 6 0.1888 0.9932 0.0756
27 7 0.1986 0.7434 0.8192
28 8 0.9387 0.8379 0.7812
29 9 0.066 0.9825 0.7011
30 10 0.0513 0.71 0.5719
31 1 0.3752 0.848 0.3869
32 2 0.3771 0.0124 0.8805
33 3 0.2724 0.1624 0.5598
34 4 0.4741 0.1624 0.2827
35 5 0.1854 0.1607 0.5532
36 6 0.3112 0.0068 0.5756
37 7 0.3014 0.2566 0.3192
38 8 0.5613 0.1621 0.2812
39 9 0.434 0.0175 0.2011
40 10 0.4487 0.29 0.0719
41 1 0.8752 0.652 0.6131
42 2 0.8771 0.4876 0.1195
43 3 0.7724 0.3376 0.4402
44 4 0.9741 0.3376 0.7173
45 5 0.6854 0.3393 0.4468
46 6 0.8112 0.4932 0.4244
47 7 0.8014 0.2434 0.6808
48 8 0.0613 0.3379 0.7188
49 9 0.934 0.4825 0.7989
50 10 0.9487 0.21 0.9281
51 1 0.6248 0.348 0.1131
52 2 0.6229 0.5124 0.6195
53 3 0.7276 0.6624 0.9402
54 4 0.5259 0.6624 0.2173
55 5 0.8146 0.6607 0.9468
56 6 0.6888 0.5068 0.9244
57 7 0.6986 0.7566 0.1808
58 8 0.4387 0.6621 0.2188
59 9 0.566 0.5175 0.2989
60 10 0.5513 0.79 0.4281
61 1 0.6248 0.152 0.6131
62 2 0.6229 0.9876 0.1195
63 3 0.7276 0.8376 0.4402
64 4 0.5259 0.8376 0.7173
65 5 0.8146 0.8393 0.4468
66 6 0.6888 0.9932 0.4244
67 7 0.6986 0.7434 0.6808
68 8 0.4387 0.8379 0.7188
69 9 0.566 0.9825 0.7989
70 10 0.5513 0.71 0.9281
71 1 0.8752 0.848 0.1131
72 2 0.8771 0.0124 0.6195
73 3 0.7724 0.1624 0.9402
74 4 0.9741 0.1624 0.2173
75 5 0.6854 0.1607 0.9468
76 6 0.8112 0.0068 0.9244
77 7 0.8014 0.2566 0.1808
78 8 0.0613 0.1621 0.2188
79 9 0.934 0.0175 0.2989
80 10 0.9487 0.29 0.4281
X-ray density (g/cm cub.) = 3.92
MU (1/cm) = 190.87 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
2.1227 6
2.1331 9
2.0895 5
2.228 5
2.1115 8
2.2496 8
2 Fe 2.592 5
2.0201 6
1.9935 9
2.1626 5
2.5562 7
2.1393 8
3 Si 2.1 4
1.6123 5
1.5964 6
1.6254 7
1.6463 7
4 Si 2.1 4
1.6156 8
1.579 9
1.6792 10
1.6549 10
5 O 3.264 11
2.7252 6
2.629 7
3.1537 6
2.9494 6
2.8562 9
3.1679 6
3.1025 5
3.1025 5
2.6758 7
2.8981 8
2.9454 8
6 O 3.264 9
2.7252 5
2.6611 7
3.0148 9
2.9494 5
3.1537 5
3.1679 5
2.5231 7
3.1533 10
2.9217 8
7 O 3.264 8
2.629 5
2.6611 6
3.0402 10
2.6758 5
2.5231 6
2.6406 7
2.6406 7
3.067 10
8 O 3.264 11
2.7367 9
2.6342 10
3.0891 8
3.0891 8
2.626 10
2.8981 5
2.9217 6
3.1882 9
3.0297 9
3.2526 9
2.9454 5
9 O 3.264 10
3.0148 6
2.7367 8
2.5979 10
2.8562 5
2.6457 10
3.1882 8
3.0297 8
3.2535 9
3.2526 8
3.2381 10
10 O 3.264 10
3.0402 7
2.6342 8
2.5979 9
3.1533 6
3.067 7
2.626 8
2.6457 9
2.7374 10
2.7374 10
3.2381 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 5.541 11.082 0.054 211.54 2 3.6 0.7
2 2 1 0 7.9 15.8 0.077 102.93 4 86.8 388.0
3 4 0 0 11.135 22.269 0.108 50.73 2 185.6 437.7
4 0 2 0 11.281 22.562 0.109 49.37 2 9.8 1.2
5 1 1 1 11.631 23.261 0.113 46.32 8 13.0 7.9
6 4 1 0 12.502 25.004 0.121 39.81 4 7.5 1.1
7 2 2 0 12.6 25.201 0.122 39.16 4 5.9 0.7
8 2 1 1 12.607 25.213 0.122 39.12 8 39.9 62.3
9 3 1 1 14.093 28.186 0.136 30.9 8 9.4 2.7
10 0 2 1 15.003 30.006 0.145 27.03 4 53.1 38.2
11 1 2 1 15.268 30.536 0.147 26.04 8 16.5 7.1
12 4 2 0 15.955 31.91 0.154 23.68 4 196.9 459.5
13 4 1 1 15.96 31.92 0.154 23.67 8 60.2 85.8
14 2 2 1 16.039 32.078 0.154 23.42 8 138.0 446.4
15 6 0 0 16.838 33.677 0.162 21.07 2 24.0 3.0
16 3 2 1 17.255 34.511 0.166 19.98 8 158.6 503.4
17 6 1 0 17.803 35.605 0.171 18.66 4 261.5 638.9
18 2 3 0 17.993 35.986 0.173 18.23 4 42.8 16.7
19 5 1 1 18.106 36.212 0.174 17.98 8 88.2 140.2
20 4 2 1 18.842 37.685 0.181 16.47 8 143.7 340.6
21 0 0 2 19.822 39.643 0.19 14.73 2 2.3 0.0
22 1 3 1 20.018 40.035 0.191 14.41 8 195.0 548.8
23 1 0 2 20.03 40.06 0.191 14.39 4 113.8 93.3
24 6 2 0 20.459 40.918 0.195 13.72 4 15.7 1.7
25 6 1 1 20.463 40.926 0.195 13.72 8 57.9 46.0
26 4 3 0 20.565 41.13 0.196 13.57 4 22.2 3.4
27 2 3 1 20.633 41.265 0.197 13.47 8 166.3 372.8
28 2 0 2 20.645 41.29 0.197 13.45 4 166.4 186.4
29 5 2 1 20.729 41.459 0.198 13.33 8 136.3 248.0
30 1 1 2 20.867 41.735 0.199 13.13 8 61.3 49.3
31 2 1 2 21.462 42.924 0.205 12.33 8 23.7 6.9
32 3 3 1 21.626 43.251 0.206 12.12 8 69.2 58.2
33 3 0 2 21.637 43.275 0.206 12.11 4 212.2 273.0
34 3 1 2 22.425 44.851 0.213 11.17 8 58.3 38.0
35 8 0 0 22.72 45.44 0.216 10.85 2 113.0 34.7
36 6 2 1 22.86 45.721 0.217 10.7 8 14.3 2.2
37 4 3 1 22.958 45.915 0.218 10.59 8 49.7 26.2
38 4 0 2 22.969 45.937 0.218 10.58 4 38.7 7.9
39 7 1 1 22.988 45.977 0.218 10.56 8 53.1 29.8
40 0 4 0 23.031 46.063 0.219 10.52 2 22.4 1.3
41 0 2 2 23.046 46.092 0.219 10.5 4 6.4 0.2
42 1 2 2 23.231 46.462 0.22 10.31 8 37.6 14.6
43 8 1 0 23.48 46.959 0.223 10.07 4 3.0 0.0
44 4 1 2 23.722 47.444 0.225 9.84 8 40.5 16.1
45 2 4 0 23.764 47.528 0.225 9.8 4 13.1 0.8
46 2 2 2 23.779 47.557 0.225 9.78 8 1.8 0.0
47 6 3 0 24.351 48.701 0.23 9.27 4 38.5 6.9
48 5 3 1 24.587 49.174 0.233 9.07 8 167.1 253.5
49 5 0 2 24.597 49.195 0.233 9.06 4 244.2 270.5
50 3 2 2 24.671 49.342 0.233 9.0 8 71.7 46.4
51 7 2 1 25.195 50.39 0.238 8.58 8 102.8 90.8
52 0 4 1 25.239 50.478 0.238 8.54 4 6.6 0.2
53 5 1 2 25.314 50.628 0.239 8.49 8 103.5 91.0
54 1 4 1 25.412 50.823 0.24 8.41 8 52.5 23.2
55 8 2 0 25.654 51.309 0.242 8.23 4 82.1 27.8
56 8 1 1 25.658 51.316 0.242 8.23 8 47.3 18.4
57 4 4 0 25.868 51.736 0.244 8.08 4 70.3 20.0
58 4 2 2 25.882 51.763 0.244 8.07 8 6.3 0.3
59 2 4 1 25.925 51.849 0.244 8.04 8 78.4 49.5
60 6 3 1 26.476 52.952 0.249 7.66 8 173.2 230.1
61 6 0 2 26.486 52.972 0.249 7.65 4 4.3 0.1
62 3 4 1 26.764 53.528 0.252 7.47 8 48.9 17.9
63 1 3 2 26.809 53.618 0.252 7.45 8 2.6 0.0
64 6 1 2 27.166 54.333 0.255 7.22 8 5.8 0.2
65 2 3 2 27.303 54.607 0.256 7.14 8 5.2 0.2
66 5 2 2 27.382 54.763 0.257 7.1 8 26.9 5.1
67 8 2 1 27.707 55.415 0.26 6.91 8 104.6 75.6
68 4 4 1 27.91 55.82 0.262 6.79 8 49.5 16.6
69 3 3 2 28.114 56.229 0.263 6.68 8 38.7 10.0
70 9 1 1 28.461 56.922 0.266 6.5 8 3.1 0.1
71 7 3 1 28.594 57.188 0.268 6.43 8 73.3 34.6
72 7 0 2 28.603 57.207 0.268 6.43 4 194.2 121.3
73 10 0 0 28.868 57.735 0.27 6.3 2 6.2 0.1
74 8 3 0 29.016 58.031 0.271 6.22 4 0.7 0.0
75 6 4 0 29.13 58.261 0.272 6.17 4 4.0 0.0
76 6 2 2 29.143 58.286 0.272 6.16 8 56.0 19.4
77 4 3 2 29.225 58.45 0.273 6.12 8 42.7 11.2
78 7 1 2 29.251 58.501 0.273 6.11 8 41.2 10.4
79 5 4 1 29.339 58.679 0.274 6.07 8 81.9 40.7
80 10 1 0 29.511 59.023 0.275 5.99 4 42.4 5.4
81 2 5 0 29.9 59.8 0.279 5.82 4 216.6 136.6
82 9 2 1 30.383 60.766 0.283 5.61 8 61.6 21.3
83 5 3 2 30.615 61.23 0.285 5.52 8 19.4 2.1
84 8 3 1 30.919 61.838 0.287 5.4 8 69.1 25.8
85 8 0 2 30.928 61.856 0.287 5.39 4 41.6 4.7
86 6 4 1 31.03 62.059 0.288 5.36 8 29.3 4.6
87 7 2 2 31.142 62.285 0.289 5.31 8 93.2 46.2
88 0 4 2 31.18 62.361 0.289 5.3 4 12.2 0.4
89 1 5 1 31.322 62.644 0.291 5.25 8 20.4 2.2
90 1 4 2 31.331 62.662 0.291 5.24 8 34.9 6.4
91 1 1 3 31.346 62.692 0.291 5.24 8 22.4 2.6
92 10 2 0 31.393 62.787 0.291 5.22 4 25.8 1.7
93 10 1 1 31.396 62.793 0.291 5.22 8 21.1 2.3
94 8 1 2 31.546 63.092 0.292 5.16 8 60.9 19.2
95 4 5 0 31.722 63.443 0.294 5.1 4 11.7 0.3
96 2 5 1 31.771 63.542 0.294 5.09 8 69.0 24.3
97 2 4 2 31.78 63.56 0.294 5.08 8 73.5 27.5
98 2 1 3 31.795 63.59 0.295 5.08 8 63.4 20.4
99 6 3 2 32.266 64.532 0.298 4.92 8 3.9 0.1
100 3 5 1 32.512 65.025 0.3 4.84 8 43.3 9.1
101 3 4 2 32.521 65.042 0.301 4.83 8 39.3 7.5
102 3 1 3 32.536 65.072 0.301 4.83 8 35.7 6.2
103 7 4 1 32.962 65.923 0.304 4.7 8 34.9 5.7
104 0 2 3 33.022 66.044 0.305 4.68 4 256.8 154.5
105 1 2 3 33.168 66.336 0.306 4.63 8 88.8 36.6
106 10 2 1 33.217 66.434 0.306 4.62 8 25.5 3.0
107 8 4 0 33.351 66.701 0.307 4.58 4 62.3 8.9
108 8 2 2 33.362 66.725 0.307 4.58 8 1.4 0.0
109 9 3 1 33.438 66.876 0.308 4.56 8 166.6 126.6
110 9 0 2 33.447 66.894 0.308 4.55 4 180.7 74.5
111 4 5 1 33.535 67.071 0.309 4.53 8 28.8 3.8
112 4 4 2 33.544 67.088 0.309 4.52 8 11.2 0.6
113 4 1 3 33.558 67.117 0.309 4.52 8 1.6 0.0
114 2 2 3 33.604 67.208 0.309 4.51 8 6.9 0.2
115 9 1 2 34.04 68.081 0.313 4.39 8 78.6 27.2
116 7 3 2 34.16 68.321 0.314 4.36 8 8.1 0.3
117 3 2 3 34.324 68.649 0.315 4.31 8 26.3 3.0
118 10 3 0 34.4 68.799 0.316 4.29 4 1.3 0.0
119 11 1 1 34.471 68.942 0.316 4.28 8 16.1 1.1
120 6 5 0 34.638 69.277 0.318 4.23 4 158.7 53.3
121 5 5 1 34.828 69.657 0.319 4.19 8 78.6 25.9
122 5 4 2 34.837 69.674 0.319 4.18 8 13.0 0.7
123 5 1 3 34.851 69.702 0.319 4.18 8 38.4 6.2
124 8 4 1 35.121 70.243 0.322 4.12 8 13.1 0.7
125 4 2 3 35.322 70.643 0.323 4.07 8 26.6 2.9
126 12 0 0 35.404 70.809 0.324 4.05 2 272.2 75.1
127 9 2 2 35.792 71.585 0.327 3.96 8 74.1 21.8
128 0 6 0 35.934 71.868 0.328 3.93 2 362.4 129.3
129 12 1 0 35.983 71.966 0.328 3.92 4 4.5 0.0
130 1 3 3 36.099 72.199 0.329 3.9 8 144.6 81.6
131 10 3 1 36.147 72.293 0.33 3.89 8 191.1 142.1
132 10 0 2 36.155 72.31 0.33 3.89 4 17.3 0.6
133 11 2 1 36.214 72.427 0.33 3.87 8 49.3 9.4
134 8 3 2 36.287 72.573 0.331 3.86 8 20.3 1.6
135 6 5 1 36.38 72.761 0.332 3.84 8 56.2 12.2
136 6 4 2 36.389 72.778 0.332 3.84 8 29.1 3.3
137 6 1 3 36.403 72.805 0.332 3.84 8 30.7 3.6
138 2 6 0 36.494 72.989 0.332 3.82 4 16.1 0.5
139 2 3 3 36.519 73.039 0.333 3.81 8 181.8 126.2
140 5 2 3 36.586 73.172 0.333 3.8 8 37.1 5.2
141 1 5 2 36.659 73.319 0.334 3.79 8 65.1 16.1
142 10 1 2 36.729 73.457 0.334 3.77 8 19.3 1.4
143 2 5 2 37.077 74.154 0.337 3.71 8 10.3 0.4
144 3 3 3 37.215 74.43 0.338 3.68 8 45.6 7.7
145 9 4 1 37.501 75.002 0.34 3.63 8 7.0 0.2
146 0 6 1 37.651 75.302 0.341 3.6 4 6.1 0.1
147 12 2 0 37.697 75.393 0.342 3.59 4 13.0 0.3
148 12 1 1 37.699 75.399 0.342 3.59 8 12.2 0.5
149 3 5 2 37.769 75.537 0.342 3.58 8 136.1 66.5
150 1 6 1 37.789 75.578 0.343 3.58 8 1.6 0.0
151 6 2 3 38.109 76.219 0.345 3.53 8 11.4 0.5
152 4 6 0 38.156 76.313 0.345 3.52 4 94.3 15.7
153 4 3 3 38.181 76.362 0.346 3.51 8 21.7 1.7
154 7 5 1 38.182 76.364 0.346 3.51 8 65.5 15.1
155 7 4 2 38.19 76.38 0.346 3.51 8 41.9 6.2
156 2 6 1 38.202 76.404 0.346 3.51 8 8.8 0.3
157 7 1 3 38.204 76.407 0.346 3.51 8 13.0 0.6
158 10 4 0 38.419 76.838 0.347 3.48 4 35.3 2.2
159 10 2 2 38.43 76.86 0.347 3.47 8 36.7 4.7
160 8 5 0 38.548 77.095 0.348 3.46 4 14.6 0.4
161 9 3 2 38.638 77.277 0.349 3.44 8 18.9 1.2
162 4 5 2 38.73 77.46 0.35 3.43 8 16.1 0.9
163 3 6 1 38.887 77.774 0.351 3.41 8 26.7 2.4
164 11 3 1 39.049 78.097 0.352 3.38 8 198.2 133.0
165 11 0 2 39.057 78.114 0.352 3.38 4 200.4 68.0
166 12 2 1 39.387 78.773 0.355 3.34 8 59.7 11.9
167 5 3 3 39.412 78.824 0.355 3.33 8 74.4 18.5
168 11 1 2 39.616 79.232 0.356 3.3 8 109.0 39.3
169 4 6 1 39.84 79.681 0.358 3.27 8 15.1 0.7
170 7 2 3 39.885 79.769 0.358 3.27 8 59.6 11.6
171 0 4 3 39.919 79.837 0.359 3.26 4 141.7 32.8
172 5 5 2 39.956 79.912 0.359 3.26 8 81.3 21.6
173 1 4 3 40.054 80.109 0.36 3.25 8 38.5 4.8
174 10 4 1 40.1 80.2 0.36 3.24 8 3.6 0.0
175 8 5 1 40.227 80.454 0.361 3.23 8 26.3 2.2
176 8 4 2 40.235 80.47 0.361 3.23 8 0.4 0.0
177 8 1 3 40.249 80.497 0.361 3.22 8 10.1 0.3
178 2 4 3 40.461 80.921 0.363 3.2 8 9.4 0.3
179 12 3 0 40.497 80.995 0.363 3.19 4 5.7 0.1
180 6 6 0 40.878 81.756 0.366 3.15 4 16.7 0.4
181 6 3 3 40.902 81.804 0.366 3.15 8 183.1 105.7
182 5 6 1 41.058 82.116 0.367 3.13 8 1.7 0.0
183 13 1 1 41.105 82.209 0.368 3.13 8 31.0 3.0
184 3 4 3 41.136 82.271 0.368 3.12 8 17.3 0.9
185 10 3 2 41.217 82.434 0.368 3.12 8 0.3 0.0
186 11 2 2 41.281 82.563 0.369 3.11 8 20.4 1.3
187 6 5 2 41.442 82.884 0.37 3.09 8 21.2 1.4
188 8 2 3 41.909 83.818 0.373 3.05 8 71.3 15.5
189 4 4 3 42.077 84.154 0.375 3.03 8 33.0 3.3
190 12 3 1 42.158 84.317 0.375 3.02 8 130.3 51.4
191 12 0 2 42.166 84.333 0.375 3.02 4 7.9 0.1
192 9 5 1 42.516 85.033 0.378 2.99 8 41.6 5.2
193 14 0 0 42.524 85.049 0.378 2.99 2 30.1 0.7
194 9 4 2 42.524 85.049 0.378 2.99 8 10.0 0.3
195 6 6 1 42.536 85.072 0.378 2.99 8 10.4 0.3
196 9 1 3 42.538 85.076 0.378 2.99 8 25.0 1.9
197 7 3 3 42.65 85.299 0.379 2.98 8 72.6 15.7
198 0 6 2 42.67 85.34 0.379 2.98 4 15.4 0.4
199 0 0 4 42.702 85.404 0.379 2.98 2 126.0 11.8
200 12 1 2 42.717 85.433 0.379 2.98 8 111.6 37.1
201 13 2 1 42.759 85.518 0.38 2.97 8 56.5 9.5
202 1 6 2 42.804 85.608 0.38 2.97 8 33.2 3.3
203 1 0 4 42.836 85.672 0.38 2.97 4 75.3 8.4
204 11 4 1 42.926 85.853 0.381 2.96 8 13.7 0.6
205 14 1 0 43.074 86.148 0.382 2.95 4 125.2 23.1
206 7 5 2 43.186 86.372 0.383 2.94 8 59.5 10.4
207 2 6 2 43.206 86.411 0.383 2.94 8 127.9 48.1
208 2 0 4 43.238 86.475 0.383 2.94 4 41.2 2.5
209 5 4 3 43.283 86.566 0.383 2.93 8 12.5 0.5
210 1 1 4 43.385 86.771 0.384 2.93 8 78.1 17.9
211 10 5 0 43.409 86.818 0.384 2.92 4 8.1 0.1
212 2 7 0 43.744 87.488 0.387 2.9 4 14.6 0.3
213 2 1 4 43.786 87.573 0.387 2.9 8 60.0 10.4
214 3 6 2 43.874 87.748 0.387 2.89 8 153.4 68.2
215 3 0 4 43.906 87.812 0.388 2.89 4 94.4 12.9
216 11 3 2 44.032 88.065 0.389 2.88 8 7.9 0.2
217 9 2 3 44.185 88.37 0.39 2.87 8 2.8 0.0
218 7 6 1 44.275 88.55 0.39 2.87 8 9.0 0.2
219 12 4 0 44.353 88.706 0.391 2.86 4 12.6 0.2
220 12 2 2 44.363 88.727 0.391 2.86 8 14.8 0.6
221 3 1 4 44.455 88.909 0.391 2.86 8 8.7 0.2
222 8 6 0 44.631 89.263 0.393 2.85 4 130.2 24.2
223 8 3 3 44.655 89.311 0.393 2.85 8 13.2 0.5
224 14 2 0 44.72 89.44 0.393 2.84 4 2.3 0.0
225 14 1 1 44.722 89.445 0.393 2.84 8 38.1 4.1
226 6 4 3 44.753 89.506 0.394 2.84 8 7.1 0.1
227 4 6 2 44.809 89.619 0.394 2.84 8 18.8 1.0
228 4 0 4 44.841 89.683 0.394 2.84 4 193.5 53.2
229 0 2 4 44.897 89.794 0.395 2.83 4 68.9 6.7
230 1 7 1 44.991 89.981 0.395 2.83 8 2.6 0.0
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 7.9 15.8 6.50798 388.0 60.4 61.6 5.6
2 4 0 0 11.135 22.269 4.63175 437.7 68.2 69.2 5.6
3 1 1 1 11.631 23.261 4.43676 7.9 1.2 1.2 5.6
4 2 1 1 12.607 25.213 4.09821 62.3 9.7 9.8 5.6
5 0 2 1 15.003 30.006 3.45529 38.2 5.9 6.0 5.6
6 1 2 1 15.268 30.536 3.39672 7.1 1.1 1.1 5.6
7 4 2 0 15.955 31.91 3.25399 545.4 84.9 85.6 5.6
8 2 2 1 16.039 32.078 3.23741 446.4 69.5 70.0 5.6
9 3 2 1 17.255 34.511 3.0154 503.4 78.4 78.8 5.7
10 6 1 0 17.803 35.605 2.92556 638.9 99.5 99.9 5.7
11 2 3 0 17.993 35.986 2.89559 16.7 2.6 2.6 5.7
12 5 1 1 18.106 36.212 2.87812 140.2 21.8 21.9 5.7
13 4 2 1 18.842 37.685 2.76954 340.6 53.0 53.2 5.7
14 1 3 1 20.018 40.035 2.61302 642.1 100.0 100.0 5.7
15 6 1 1 20.463 40.926 2.5585 47.7 7.4 7.4 5.7
16 2 3 1 20.633 41.265 2.53838 559.2 87.1 87.0 5.7
17 5 2 1 20.729 41.459 2.52706 248.0 38.6 38.6 5.7
18 1 1 2 20.867 41.735 2.51109 49.3 7.7 7.7 5.7
19 2 1 2 21.462 42.924 2.44463 6.9 1.1 1.1 5.7
20 3 0 2 21.637 43.275 2.42579 331.2 51.6 51.4 5.7
21 3 1 2 22.425 44.851 2.3447 38.0 5.9 5.9 5.7
22 8 0 0 22.72 45.44 2.31588 34.7 5.4 5.4 5.7
23 4 3 1 22.958 45.915 2.2932 34.1 5.3 5.3 5.7
24 7 1 1 22.988 45.977 2.2903 29.8 4.6 4.6 5.7
25 1 2 2 23.231 46.462 2.26768 14.6 2.3 2.3 5.7
26 4 1 2 23.722 47.444 2.22337 16.1 2.5 2.5 5.7
27 6 3 0 24.351 48.701 2.16933 6.9 1.1 1.1 5.7
28 5 0 2 24.597 49.195 2.14891 523.9 81.6 80.8 5.7
29 3 2 2 24.671 49.342 2.1429 46.4 7.2 7.1 5.7
30 7 2 1 25.195 50.39 2.10114 90.8 14.1 14.0 5.8
31 5 1 2 25.314 50.628 2.09193 91.0 14.2 14.0 5.8
32 1 4 1 25.412 50.823 2.08442 23.2 3.6 3.6 5.8
33 8 2 0 25.654 51.309 2.066 46.2 7.2 7.1 5.8
34 4 4 0 25.868 51.736 2.0501 20.3 3.2 3.1 5.8
35 2 4 1 25.925 51.849 2.04594 49.5 7.7 7.6 5.8
36 6 3 1 26.476 52.952 2.00633 230.2 35.8 35.3 5.8
37 3 4 1 26.764 53.528 1.98628 17.9 2.8 2.7 5.8
38 8 2 1 27.707 55.415 1.92375 75.6 11.8 11.6 5.8
39 4 4 1 27.91 55.82 1.91089 16.6 2.6 2.5 5.8
40 3 3 2 28.114 56.229 1.89813 10.0 1.6 1.5 5.8
41 7 0 2 28.603 57.207 1.86835 156.0 24.3 23.8 5.8
42 6 2 2 29.143 58.286 1.83671 19.4 3.0 3.0 5.8
43 4 3 2 29.225 58.45 1.83202 21.6 3.4 3.3 5.8
44 5 4 1 29.339 58.679 1.8255 40.7 6.3 6.2 5.8
45 2 5 0 29.9 59.8 1.79436 136.6 21.3 20.8 5.8
46 9 2 1 30.383 60.766 1.76849 21.3 3.3 3.2 5.8
47 8 3 1 30.919 61.838 1.74078 30.5 4.7 4.6 5.8
48 7 2 2 31.142 62.285 1.72954 46.2 7.2 7.0 5.8
49 1 1 3 31.346 62.692 1.71944 11.2 1.7 1.7 5.8
50 8 1 2 31.546 63.092 1.70964 19.2 3.0 2.9 5.9
51 2 4 2 31.78 63.56 1.69836 72.2 11.2 10.9 5.9
52 3 5 1 32.512 65.025 1.66417 22.7 3.5 3.4 5.9
53 0 2 3 33.022 66.044 1.64133 154.5 24.1 23.3 5.9
54 1 2 3 33.168 66.336 1.63493 36.6 5.7 5.5 5.9
55 8 4 0 33.351 66.701 1.627 8.9 1.4 1.3 5.9
56 9 3 1 33.438 66.876 1.62323 201.0 31.3 30.2 5.9
57 9 1 2 34.04 68.081 1.59789 27.2 4.2 4.1 5.9
58 6 5 0 34.638 69.277 1.57366 53.3 8.3 8.0 5.9
59 5 5 1 34.828 69.657 1.56615 32.8 5.1 4.9 5.9
60 12 0 0 35.404 70.809 1.54392 75.1 11.7 11.2 5.9
61 9 2 2 35.792 71.585 1.52939 21.8 3.4 3.2 5.9
62 0 6 0 35.934 71.868 1.52417 129.3 20.1 19.3 5.9
63 1 3 3 36.099 72.199 1.51812 81.6 12.7 12.2 5.9
64 10 3 1 36.147 72.293 1.51641 142.7 22.2 21.2 5.9
65 11 2 1 36.214 72.427 1.51398 9.4 1.5 1.4 5.9
66 6 5 1 36.38 72.761 1.508 19.0 3.0 2.8 6.0
67 2 3 3 36.519 73.039 1.50306 126.2 19.7 18.8 6.0
68 1 5 2 36.659 73.319 1.49811 16.1 2.5 2.4 6.0
69 3 3 3 37.215 74.43 1.47892 7.7 1.2 1.1 6.0
70 3 5 2 37.769 75.537 1.4604 66.5 10.4 9.8 6.0
71 4 6 0 38.156 76.313 1.44779 32.4 5.1 4.8 6.0
72 7 4 2 38.19 76.38 1.44671 7.1 1.1 1.0 6.0
73 10 2 2 38.43 76.86 1.43906 6.9 1.1 1.0 6.0
74 11 3 1 39.049 78.097 1.41982 201.0 31.3 29.6 6.0
75 5 3 3 39.412 78.824 1.40884 30.4 4.7 4.5 6.0
76 11 1 2 39.616 79.232 1.40277 39.3 6.1 5.8 6.0
77 7 2 3 39.885 79.769 1.39489 11.6 1.8 1.7 6.0
78 0 4 3 39.919 79.837 1.39389 32.8 5.1 4.8 6.0
79 5 5 2 39.956 79.912 1.39281 21.6 3.4 3.2 6.0
80 6 3 3 40.902 81.804 1.36607 105.7 16.5 15.4 6.1
81 8 2 3 41.909 83.818 1.33912 15.5 2.4 2.3 6.1
82 12 3 1 42.158 84.317 1.33266 51.5 8.0 7.5 6.1
83 9 5 1 42.516 85.033 1.32356 8.4 1.3 1.2 6.1
84 7 3 3 42.65 85.299 1.32021 16.1 2.5 2.3 6.1
85 12 1 2 42.717 85.433 1.31854 48.9 7.6 7.1 6.1
86 13 2 1 42.759 85.518 1.31749 9.5 1.5 1.4 6.1
87 1 0 4 42.836 85.672 1.31557 8.4 1.3 1.2 6.1
88 14 1 0 43.074 86.148 1.30972 23.1 3.6 3.3 6.1
89 2 6 2 43.206 86.411 1.30651 58.5 9.1 8.4 6.1
90 1 1 4 43.385 86.771 1.30217 18.0 2.8 2.6 6.1
91 2 1 4 43.786 87.573 1.29262 10.4 1.6 1.5 6.2
92 3 6 2 43.874 87.748 1.29056 68.2 10.6 9.8 6.2
93 3 0 4 43.906 87.812 1.28981 12.9 2.0 1.9 6.2
94 8 6 0 44.631 89.263 1.27317 24.7 3.8 3.5 6.2
95 4 0 4 44.841 89.683 1.26848 53.2 8.3 7.6 6.2
96 0 2 4 44.897 89.794 1.26724 6.7 1.0 1.0 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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