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
2, t-hypersthene, at 24'C, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-enstatite
FeSiO(3)
Orthorhombic P bca Z = 16
Pbca
11 .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 = 18.418 alpha = 90.0
b = 9.078 beta = 90.0
c = 5.2366 gamma = 90.0
Unit cell volume (cub. angs.) = 875.55
Molar volume ( cub.cm/mol.) = 32.96
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3757 0.6542 0.8746 0.46 Fe = 1.00
2 0.3777 0.4857 0.3667 0.62 Fe = 1.00
3 0.2723 0.3387 0.0493 0.47 Si = 1.00
4 0.4731 0.3345 0.7891 0.42 Si = 1.00
5 0.1848 0.3396 0.0387 0.6 O = 1.00
6 0.3118 0.4964 0.0582 0.68 O = 1.00
7 0.3025 0.2363 0.8163 0.7 O = 1.00
8 0.561 0.3365 0.7868 0.71 O = 1.00
9 0.4332 0.4806 0.6932 0.69 O = 1.00
10 0.4476 0.2028 0.5865 0.6 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3757 0.6542 0.8746
2 2 0.3777 0.4857 0.3667
3 3 0.2723 0.3387 0.0493
4 4 0.4731 0.3345 0.7891
5 5 0.1848 0.3396 0.0387
6 6 0.3118 0.4964 0.0582
7 7 0.3025 0.2363 0.8163
8 8 0.561 0.3365 0.7868
9 9 0.4332 0.4806 0.6932
10 10 0.4476 0.2028 0.5865
11 1 0.1243 0.3458 0.3746
12 2 0.1223 0.5143 0.8667
13 3 0.2277 0.6613 0.5493
14 4 0.0269 0.6655 0.2891
15 5 0.3152 0.6604 0.5387
16 6 0.1882 0.5036 0.5582
17 7 0.1975 0.7637 0.3163
18 8 0.939 0.6635 0.2868
19 9 0.0668 0.5194 0.1932
20 10 0.0524 0.7972 0.0865
21 1 0.1243 0.1542 0.8746
22 2 0.1223 0.9857 0.3667
23 3 0.2277 0.8387 0.0493
24 4 0.0269 0.8345 0.7891
25 5 0.3152 0.8396 0.0387
26 6 0.1882 0.9964 0.0582
27 7 0.1975 0.7363 0.8163
28 8 0.939 0.8365 0.7868
29 9 0.0668 0.9806 0.6932
30 10 0.0524 0.7028 0.5865
31 1 0.3757 0.8458 0.3746
32 2 0.3777 0.0143 0.8667
33 3 0.2723 0.1613 0.5493
34 4 0.4731 0.1655 0.2891
35 5 0.1848 0.1604 0.5387
36 6 0.3118 0.0036 0.5582
37 7 0.3025 0.2637 0.3163
38 8 0.561 0.1635 0.2868
39 9 0.4332 0.0194 0.1932
40 10 0.4476 0.2972 0.0865
41 1 0.8757 0.6542 0.6254
42 2 0.8777 0.4857 0.1333
43 3 0.7723 0.3387 0.4507
44 4 0.9731 0.3345 0.7109
45 5 0.6848 0.3396 0.4613
46 6 0.8118 0.4964 0.4418
47 7 0.8025 0.2363 0.6837
48 8 0.061 0.3365 0.7132
49 9 0.9332 0.4806 0.8068
50 10 0.9476 0.2028 0.9135
51 1 0.6243 0.3458 0.1254
52 2 0.6223 0.5143 0.6333
53 3 0.7277 0.6613 0.9507
54 4 0.5269 0.6655 0.2109
55 5 0.8152 0.6604 0.9613
56 6 0.6882 0.5036 0.9418
57 7 0.6975 0.7637 0.1837
58 8 0.439 0.6635 0.2132
59 9 0.5668 0.5194 0.3068
60 10 0.5524 0.7972 0.4135
61 1 0.6243 0.1542 0.6254
62 2 0.6223 0.9857 0.1333
63 3 0.7277 0.8387 0.4507
64 4 0.5269 0.8345 0.7109
65 5 0.8152 0.8396 0.4613
66 6 0.6882 0.9964 0.4418
67 7 0.6975 0.7363 0.6837
68 8 0.439 0.8365 0.7132
69 9 0.5668 0.9806 0.8068
70 10 0.5524 0.7028 0.9135
71 1 0.8757 0.8458 0.1254
72 2 0.8777 0.0143 0.6333
73 3 0.7723 0.1613 0.9507
74 4 0.9731 0.1655 0.2109
75 5 0.6848 0.1604 0.9613
76 6 0.8118 0.0036 0.9418
77 7 0.8025 0.2637 0.1837
78 8 0.061 0.1635 0.2132
79 9 0.9332 0.0194 0.3068
80 10 0.9476 0.2972 0.4135
X-ray density (g/cm cub.) = 4.0
MU (1/cm) = 194.858 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
2.0884 6
2.1231 9
2.083 5
2.1938 5
2.1237 8
2.1937 8
2 Fe 2.592 5
2.023 6
1.9926 9
2.1567 5
2.4596 7
2.1274 8
3 Si 2.1 4
1.6126 5
1.6065 6
1.6316 7
1.6516 7
4 Si 2.1 4
1.6191 8
1.5973 9
1.666 10
1.6615 10
5 O 3.264 11
2.7401 6
2.6335 7
3.1018 6
2.9243 6
2.8359 9
3.1179 6
3.0825 5
3.0825 5
2.6995 7
2.847 8
2.9308 8
6 O 3.264 9
2.7401 5
2.685 7
2.945 9
2.9243 5
3.1018 5
3.1179 5
2.5137 7
3.09 10
2.9066 8
7 O 3.264 8
2.6335 5
2.685 6
2.9466 10
2.6995 5
2.5137 6
2.6301 7
2.6301 7
3.074 10
8 O 3.264 11
2.7371 9
2.6335 10
3.0532 8
3.0532 8
2.6368 10
2.847 5
2.9066 6
3.1911 9
3.0143 9
3.2343 9
2.9308 5
9 O 3.264 10
2.945 6
2.7371 8
2.5966 10
2.8359 5
2.6616 10
3.1911 8
3.0143 8
3.2052 9
3.2343 8
3.1968 10
10 O 3.264 10
2.9466 7
2.6335 8
2.5966 9
3.09 6
3.074 7
2.6368 8
2.6616 9
2.755 10
2.755 10
3.1968 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 5.574 11.148 0.054 209.02 2 6.3 2.2
2 2 1 0 7.953 15.905 0.077 101.53 4 85.0 383.1
3 4 0 0 11.201 22.403 0.109 50.11 2 195.6 500.2
4 0 2 0 11.365 22.73 0.11 48.61 2 13.7 2.4
5 1 1 1 11.717 23.435 0.114 45.61 8 8.7 3.6
6 4 1 0 12.581 25.162 0.122 39.29 4 9.3 1.8
7 2 2 0 12.691 25.383 0.123 38.57 4 3.0 0.2
8 2 1 1 12.698 25.396 0.123 38.53 8 47.7 91.5
9 3 1 1 14.192 28.384 0.137 30.44 8 7.2 1.6
10 0 2 1 15.117 30.233 0.146 26.6 4 67.8 63.7
11 1 2 1 15.383 30.766 0.148 25.62 8 23.0 14.2
12 4 2 0 16.064 32.128 0.155 23.34 4 196.2 468.6
13 4 1 1 16.07 32.139 0.155 23.32 8 55.0 73.6
14 2 2 1 16.158 32.316 0.156 23.05 8 129.1 400.7
15 6 0 0 16.941 33.882 0.163 20.8 2 33.4 6.0
16 3 2 1 17.381 34.762 0.167 19.67 8 155.9 498.8
17 6 1 0 17.914 35.829 0.172 18.41 4 266.3 681.3
18 2 3 0 18.128 36.256 0.174 17.94 4 29.6 8.2
19 5 1 1 18.228 36.457 0.175 17.72 8 92.0 156.4
20 4 2 1 18.977 37.954 0.182 16.22 8 159.1 428.5
21 0 0 2 19.976 39.951 0.191 14.48 2 32.8 4.1
22 1 3 1 20.172 40.343 0.193 14.16 8 196.7 571.6
23 1 0 2 20.185 40.37 0.193 14.14 4 135.9 136.3
24 6 2 0 20.595 41.191 0.197 13.52 4 19.9 2.8
25 6 1 1 20.6 41.2 0.197 13.52 8 65.3 60.1
26 4 3 0 20.714 41.429 0.198 13.35 4 28.7 5.7
27 2 3 1 20.79 41.58 0.198 13.24 8 182.6 461.0
28 2 0 2 20.803 41.606 0.199 13.22 4 184.6 235.1
29 5 2 1 20.875 41.75 0.199 13.12 8 137.0 256.9
30 1 1 2 21.029 42.059 0.201 12.91 8 62.5 52.7
31 2 1 2 21.628 43.255 0.206 12.12 8 14.5 2.7
32 3 3 1 21.789 43.577 0.207 11.92 8 50.8 32.1
33 3 0 2 21.801 43.603 0.208 11.9 4 206.7 265.5
34 3 1 2 22.596 45.193 0.215 10.98 8 65.3 48.9
35 8 0 0 22.862 45.724 0.217 10.69 2 113.5 35.9
36 6 2 1 23.019 46.039 0.219 10.53 8 14.4 2.3
37 4 3 1 23.128 46.257 0.22 10.42 8 41.3 18.5
38 4 0 2 23.141 46.281 0.22 10.4 4 14.4 1.1
39 7 1 1 23.141 46.283 0.22 10.4 8 53.9 31.5
40 0 4 0 23.211 46.422 0.22 10.33 2 27.0 2.0
41 0 2 2 23.227 46.455 0.22 10.32 4 3.2 0.1
42 1 2 2 23.413 46.826 0.222 10.13 8 36.0 13.7
43 8 1 0 23.629 47.258 0.224 9.92 4 0.5 0.0
44 4 1 2 23.901 47.801 0.226 9.67 8 38.7 15.1
45 2 4 0 23.948 47.897 0.227 9.63 4 11.4 0.6
46 2 2 2 23.964 47.928 0.227 9.61 8 2.0 0.0
47 6 3 0 24.524 49.047 0.232 9.12 4 49.9 11.9
48 5 3 1 24.768 49.536 0.234 8.92 8 173.0 278.6
49 5 0 2 24.779 49.559 0.234 8.91 4 259.2 312.2
50 3 2 2 24.862 49.724 0.235 8.84 8 74.6 51.3
51 7 2 1 25.37 50.739 0.24 8.44 8 105.6 98.3
52 0 4 1 25.439 50.877 0.24 8.39 4 12.6 0.7
53 5 1 2 25.503 51.005 0.241 8.34 8 113.4 112.0
54 1 4 1 25.612 51.225 0.242 8.26 8 58.0 29.0
55 8 2 0 25.826 51.651 0.244 8.11 4 87.3 32.2
56 8 1 1 25.829 51.659 0.244 8.1 8 46.7 18.5
57 4 4 0 26.065 52.131 0.246 7.94 4 80.6 26.9
58 4 2 2 26.08 52.16 0.246 7.93 8 24.1 4.8
59 2 4 1 26.129 52.257 0.246 7.89 8 80.3 53.1
60 6 3 1 26.669 53.338 0.251 7.54 8 209.2 344.2
61 6 0 2 26.68 53.36 0.251 7.53 4 4.0 0.1
62 3 4 1 26.974 53.947 0.254 7.34 8 45.3 15.7
63 1 3 2 27.023 54.047 0.254 7.31 8 7.6 0.4
64 6 1 2 27.367 54.735 0.257 7.1 8 13.7 1.4
65 2 3 2 27.521 55.042 0.258 7.02 8 2.1 0.0
66 5 2 2 27.59 55.18 0.259 6.98 8 30.2 6.6
67 8 2 1 27.9 55.799 0.262 6.8 8 122.0 105.6
68 4 4 1 28.127 56.254 0.264 6.68 8 56.0 21.9
69 3 3 2 28.337 56.675 0.265 6.56 8 29.5 6.0
70 9 1 1 28.653 57.306 0.268 6.4 8 5.2 0.2
71 7 3 1 28.802 57.604 0.269 6.33 8 63.7 26.8
72 7 0 2 28.812 57.625 0.269 6.32 4 208.7 143.7
73 10 0 0 29.055 58.109 0.271 6.2 2 11.4 0.2
74 8 3 0 29.221 58.442 0.273 6.12 4 6.4 0.1
75 6 4 0 29.35 58.7 0.274 6.06 4 1.1 0.0
76 6 2 2 29.364 58.727 0.274 6.06 8 64.3 26.1
77 4 3 2 29.455 58.911 0.275 6.02 8 40.2 10.1
78 7 1 2 29.466 58.933 0.275 6.01 8 43.5 11.8
79 5 4 1 29.566 59.132 0.276 5.97 8 87.2 47.3
80 10 1 0 29.705 59.411 0.277 5.9 4 39.3 4.8
81 2 5 0 30.141 60.283 0.281 5.71 4 234.7 164.2
82 9 2 1 30.595 61.19 0.285 5.53 8 55.2 17.6
83 5 3 2 30.855 61.711 0.287 5.42 8 26.8 4.1
84 8 3 1 31.145 62.289 0.289 5.31 8 64.5 23.1
85 8 0 2 31.154 62.309 0.289 5.31 4 2.2 0.0
86 6 4 1 31.269 62.537 0.29 5.27 8 29.2 4.7
87 7 2 2 31.378 62.755 0.291 5.23 8 100.4 55.0
88 0 4 2 31.438 62.875 0.292 5.2 4 28.1 2.1
89 1 5 1 31.579 63.159 0.293 5.15 8 11.5 0.7
90 1 4 2 31.589 63.179 0.293 5.15 8 36.9 7.3
91 1 1 3 31.606 63.211 0.293 5.14 8 34.6 6.4
92 10 2 0 31.608 63.216 0.293 5.14 4 34.7 3.2
93 10 1 1 31.611 63.222 0.293 5.14 8 30.5 5.0
94 8 1 2 31.779 63.558 0.294 5.08 8 70.8 26.6
95 4 5 0 31.976 63.953 0.296 5.01 4 9.5 0.2
96 2 5 1 32.032 64.064 0.296 5.0 8 79.6 33.0
97 2 4 2 32.042 64.083 0.297 4.99 8 70.6 26.0
98 2 1 3 32.058 64.116 0.297 4.99 8 57.5 17.2
99 6 3 2 32.519 65.037 0.301 4.83 8 11.6 0.7
100 3 5 1 32.779 65.557 0.303 4.75 8 40.6 8.2
101 3 4 2 32.788 65.577 0.303 4.75 8 33.8 5.7
102 3 1 3 32.804 65.609 0.303 4.74 8 58.5 16.9
103 7 4 1 33.216 66.431 0.306 4.62 8 39.7 7.6
104 0 2 3 33.299 66.599 0.307 4.6 4 240.0 138.1
105 1 2 3 33.446 66.893 0.308 4.55 8 130.9 81.4
106 10 2 1 33.452 66.903 0.308 4.55 8 33.1 5.2
107 8 4 0 33.602 67.204 0.309 4.51 4 56.2 7.4
108 8 2 2 33.615 67.23 0.309 4.5 8 25.2 3.0
109 9 3 1 33.684 67.367 0.31 4.49 8 174.8 143.0
110 9 0 2 33.693 67.386 0.31 4.48 4 196.4 90.2
111 4 5 1 33.81 67.619 0.311 4.45 8 30.8 4.4
112 4 4 2 33.819 67.638 0.311 4.45 8 8.7 0.4
113 4 1 3 33.835 67.67 0.311 4.44 8 0.4 0.0
114 2 2 3 33.886 67.772 0.312 4.43 8 14.3 1.0
115 9 1 2 34.293 68.586 0.315 4.32 8 80.6 29.3
116 7 3 2 34.428 68.856 0.316 4.29 8 13.9 0.9
117 3 2 3 34.612 69.224 0.318 4.24 8 34.9 5.4
118 10 3 0 34.648 69.295 0.318 4.23 4 11.3 0.3
119 11 1 1 34.711 69.423 0.318 4.22 8 18.5 1.5
120 6 5 0 34.916 69.832 0.32 4.16 4 188.3 77.1
121 5 5 1 35.113 70.226 0.322 4.12 8 78.2 26.3
122 5 4 2 35.122 70.245 0.322 4.12 8 19.8 1.7
123 5 1 3 35.138 70.276 0.322 4.11 8 44.9 8.7
124 8 4 1 35.393 70.786 0.324 4.05 8 8.8 0.3
125 4 2 3 35.617 71.234 0.326 4.0 8 21.8 2.0
126 12 0 0 35.646 71.292 0.326 4.0 2 300.5 94.2
127 9 2 2 36.065 72.131 0.329 3.91 8 74.8 22.8
128 12 1 0 36.231 72.462 0.33 3.87 4 8.5 0.1
129 0 6 0 36.241 72.482 0.33 3.87 2 411.6 171.0
130 1 3 3 36.41 72.82 0.332 3.83 8 208.6 174.1
131 10 3 1 36.415 72.831 0.332 3.83 8 234.3 219.5
132 10 0 2 36.424 72.849 0.332 3.83 4 23.3 1.1
133 11 2 1 36.474 72.949 0.332 3.82 8 54.5 11.8
134 8 3 2 36.572 73.145 0.333 3.8 8 16.3 1.1
135 6 5 1 36.678 73.356 0.334 3.78 8 61.3 14.8
136 6 4 2 36.687 73.374 0.334 3.78 8 34.5 4.7
137 6 1 3 36.702 73.405 0.334 3.78 8 34.6 4.7
138 2 6 0 36.806 73.612 0.335 3.76 4 23.3 1.1
139 2 3 3 36.834 73.667 0.335 3.75 8 161.5 102.1
140 5 2 3 36.892 73.785 0.336 3.74 8 58.0 13.1
141 1 5 2 36.975 73.951 0.336 3.72 8 78.7 24.1
142 10 1 2 37.005 74.01 0.336 3.72 8 1.1 0.0
143 2 5 2 37.396 74.793 0.339 3.65 8 17.8 1.2
144 3 3 3 37.535 75.07 0.341 3.62 8 78.1 23.1
145 9 4 1 37.794 75.587 0.343 3.58 8 4.6 0.1
146 12 2 0 37.966 75.931 0.344 3.55 4 14.4 0.4
147 12 1 1 37.969 75.937 0.344 3.55 8 6.1 0.1
148 0 6 1 37.978 75.957 0.344 3.55 4 16.8 0.5
149 3 5 2 38.094 76.189 0.345 3.53 8 158.5 92.5
150 1 6 1 38.118 76.235 0.345 3.52 8 14.8 0.8
151 6 2 3 38.429 76.858 0.347 3.48 8 18.7 1.3
152 4 6 0 38.483 76.966 0.348 3.47 4 112.8 23.0
153 7 5 1 38.496 76.991 0.348 3.46 8 62.8 14.2
154 7 4 2 38.505 77.009 0.348 3.46 8 48.2 8.4
155 4 3 3 38.51 77.02 0.348 3.46 8 27.3 2.7
156 7 1 3 38.52 77.039 0.348 3.46 8 16.0 0.9
157 2 6 1 38.534 77.069 0.348 3.46 8 0.4 0.0
158 10 4 0 38.715 77.43 0.35 3.43 4 47.5 4.0
159 10 2 2 38.727 77.454 0.35 3.43 8 34.7 4.3
160 8 5 0 38.86 77.719 0.351 3.41 4 20.3 0.7
161 9 3 2 38.946 77.891 0.351 3.4 8 12.3 0.5
162 4 5 2 39.065 78.129 0.352 3.38 8 12.3 0.5
163 3 6 1 39.226 78.451 0.353 3.36 8 23.8 2.0
164 11 3 1 39.344 78.689 0.354 3.34 8 217.1 164.3
165 11 0 2 39.353 78.706 0.354 3.34 4 247.1 106.4
166 12 2 1 39.677 79.354 0.357 3.3 8 75.5 19.6
167 5 3 3 39.752 79.504 0.357 3.29 8 113.6 44.3
168 11 1 2 39.919 79.839 0.359 3.26 8 111.1 42.0
169 4 6 1 40.188 80.376 0.361 3.23 8 1.0 0.0
170 7 2 3 40.221 80.443 0.361 3.23 8 89.3 26.8
171 0 4 3 40.275 80.551 0.361 3.22 4 143.7 34.7
172 5 5 2 40.302 80.604 0.362 3.22 8 99.4 33.2
173 1 4 3 40.412 80.825 0.362 3.2 8 57.1 10.9
174 10 4 1 40.417 80.835 0.362 3.2 8 8.4 0.2
175 8 5 1 40.561 81.121 0.363 3.19 8 34.4 3.9
176 8 4 2 40.569 81.139 0.364 3.19 8 7.8 0.2
177 8 1 3 40.584 81.168 0.364 3.18 8 9.2 0.3
178 12 3 0 40.802 81.605 0.365 3.16 4 13.9 0.3
179 2 4 3 40.823 81.645 0.365 3.16 8 19.2 1.2
180 6 6 0 41.231 82.461 0.368 3.11 4 24.8 1.0
181 6 3 3 41.257 82.515 0.369 3.11 8 175.3 99.8
182 13 1 1 41.408 82.816 0.37 3.1 8 33.7 3.7
183 5 6 1 41.417 82.835 0.37 3.09 8 8.7 0.2
184 3 4 3 41.504 83.009 0.37 3.09 8 32.6 3.4
185 10 3 2 41.55 83.1 0.371 3.08 8 5.3 0.1
186 11 2 2 41.607 83.214 0.371 3.08 8 26.2 2.2
187 6 5 2 41.803 83.606 0.373 3.06 8 7.8 0.2
188 8 2 3 42.266 84.533 0.376 3.01 8 63.4 12.7
189 4 4 3 42.456 84.911 0.377 3.0 8 33.4 3.5
190 12 3 1 42.486 84.972 0.378 3.0 8 143.1 64.0
191 12 0 2 42.495 84.989 0.378 2.99 4 31.3 1.5
192 14 0 0 42.836 85.672 0.38 2.97 2 50.4 2.0
193 9 5 1 42.874 85.747 0.38 2.96 8 46.7 6.7
194 9 4 2 42.882 85.765 0.38 2.96 8 6.6 0.1
195 9 1 3 42.897 85.794 0.38 2.96 8 45.1 6.3
196 6 6 1 42.911 85.823 0.381 2.96 8 9.5 0.3
197 7 3 3 43.023 86.046 0.381 2.95 8 105.7 34.4
198 12 1 2 43.053 86.105 0.382 2.95 8 126.7 49.4
199 0 6 2 43.062 86.124 0.382 2.95 4 4.5 0.0
200 13 2 1 43.085 86.169 0.382 2.95 8 60.0 11.1
201 0 0 4 43.097 86.194 0.382 2.95 2 143.6 15.9
202 1 6 2 43.197 86.395 0.383 2.94 8 55.3 9.4
203 1 0 4 43.233 86.465 0.383 2.94 4 125.3 24.0
204 11 4 1 43.274 86.547 0.383 2.93 8 15.7 0.8
205 14 1 0 43.393 86.787 0.384 2.92 4 134.8 27.7
206 7 5 2 43.566 87.131 0.385 2.91 8 76.4 17.7
207 2 6 2 43.603 87.207 0.386 2.91 8 145.2 64.0
208 2 0 4 43.639 87.277 0.386 2.91 4 0.2 0.0
209 5 4 3 43.675 87.349 0.386 2.91 8 24.3 1.8
210 10 5 0 43.771 87.542 0.387 2.9 4 3.3 0.0
211 1 1 4 43.79 87.579 0.387 2.9 8 75.7 17.3
212 2 7 0 44.148 88.297 0.389 2.88 4 23.0 0.8
213 2 1 4 44.195 88.39 0.39 2.87 8 66.3 13.2
214 3 6 2 44.28 88.559 0.39 2.87 8 167.3 83.7
215 3 0 4 44.315 88.629 0.391 2.87 4 57.0 4.9
216 11 3 2 44.396 88.792 0.391 2.86 8 13.9 0.6
217 9 2 3 44.568 89.135 0.392 2.85 8 9.3 0.3
218 7 6 1 44.67 89.34 0.393 2.85 8 16.3 0.8
219 12 4 0 44.711 89.422 0.393 2.84 4 16.0 0.4
220 12 2 2 44.723 89.446 0.393 2.84 8 11.0 0.4
221 3 1 4 44.871 89.742 0.394 2.83 8 26.8 2.1
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 7.953 15.905 6.46493 383.1 54.1 55.2 5.6
2 4 0 0 11.201 22.403 4.6045 500.2 70.7 71.8 5.6
3 2 1 1 12.698 25.396 4.06917 91.5 12.9 13.1 5.6
4 0 2 1 15.117 30.233 3.42987 63.7 9.0 9.1 5.6
5 1 2 1 15.383 30.766 3.3719 14.2 2.0 2.0 5.6
6 4 2 0 16.064 32.128 3.23247 542.2 76.6 77.2 5.6
7 2 2 1 16.158 32.316 3.21418 400.7 56.6 57.0 5.6
8 3 2 1 17.381 34.762 2.99428 498.8 70.5 70.8 5.7
9 6 1 0 17.914 35.829 2.90792 681.3 96.2 96.7 5.7
10 2 3 0 18.128 36.256 2.87478 8.2 1.2 1.2 5.7
11 5 1 1 18.228 36.457 2.85948 156.4 22.1 22.2 5.7
12 4 2 1 18.977 37.954 2.75062 428.5 60.5 60.7 5.7
13 1 3 1 20.172 40.343 2.59391 707.9 100.0 100.0 5.7
14 6 1 1 20.6 41.2 2.54225 62.9 8.9 8.9 5.7
15 2 3 1 20.79 41.58 2.52001 696.1 98.3 98.2 5.7
16 5 2 1 20.875 41.75 2.5102 256.9 36.3 36.2 5.7
17 1 1 2 21.029 42.059 2.49261 52.7 7.4 7.4 5.7
18 3 0 2 21.801 43.603 2.40842 297.6 42.0 41.9 5.7
19 3 1 2 22.596 45.193 2.32789 48.9 6.9 6.9 5.7
20 8 0 0 22.862 45.724 2.30225 35.9 5.1 5.0 5.7
21 7 1 1 23.141 46.283 2.27597 51.2 7.2 7.2 5.7
22 1 2 2 23.413 46.826 2.25101 13.7 1.9 1.9 5.7
23 4 1 2 23.901 47.801 2.20772 15.1 2.1 2.1 5.7
24 6 3 0 24.524 49.047 2.15498 11.9 1.7 1.7 5.7
25 5 0 2 24.779 49.559 2.13411 590.8 83.5 82.6 5.7
26 3 2 2 24.862 49.724 2.12748 51.3 7.2 7.2 5.7
27 7 2 1 25.37 50.739 2.08763 98.3 13.9 13.7 5.8
28 5 1 2 25.503 51.005 2.07748 112.0 15.8 15.6 5.8
29 1 4 1 25.612 51.225 2.06917 29.0 4.1 4.0 5.8
30 8 2 0 25.826 51.651 2.05323 50.7 7.2 7.1 5.8
31 4 4 0 26.065 52.131 2.03566 31.7 4.5 4.4 5.8
32 2 4 1 26.129 52.257 2.03107 53.1 7.5 7.4 5.8
33 6 3 1 26.669 53.338 1.99283 344.2 48.6 47.9 5.8
34 3 4 1 26.974 53.947 1.972 15.7 2.2 2.2 5.8
35 8 2 1 27.9 55.799 1.91155 105.6 14.9 14.7 5.8
36 4 4 1 28.127 56.254 1.89734 21.9 3.1 3.0 5.8
37 7 0 2 28.812 57.625 1.85594 170.5 24.1 23.6 5.8
38 6 2 2 29.364 58.727 1.82413 26.1 3.7 3.6 5.8
39 7 1 2 29.466 58.933 1.81833 22.0 3.1 3.0 5.8
40 5 4 1 29.566 59.132 1.81275 47.3 6.7 6.5 5.8
41 2 5 0 30.141 60.283 1.78131 164.2 23.2 22.6 5.8
42 9 2 1 30.595 61.19 1.7574 17.6 2.5 2.4 5.8
43 8 3 1 31.145 62.289 1.72943 23.1 3.3 3.2 5.8
44 7 2 2 31.378 62.755 1.71788 55.0 7.8 7.6 5.9
45 1 4 2 31.589 63.179 1.70755 22.0 3.1 3.0 5.9
46 8 1 2 31.779 63.558 1.69841 26.6 3.8 3.6 5.9
47 2 5 1 32.032 64.064 1.68641 76.2 10.8 10.4 5.9
48 3 1 3 32.804 65.609 1.65099 30.8 4.4 4.2 5.9
49 7 4 1 33.216 66.431 1.63285 7.6 1.1 1.0 5.9
50 0 2 3 33.299 66.599 1.62921 138.1 19.5 18.8 5.9
51 1 2 3 33.446 66.893 1.62288 86.6 12.2 11.8 5.9
52 8 4 0 33.602 67.204 1.61623 10.4 1.5 1.4 5.9
53 9 3 1 33.684 67.367 1.61278 233.2 32.9 31.8 5.9
54 9 1 2 34.293 68.586 1.58753 29.3 4.1 4.0 5.9
55 6 5 0 34.916 69.832 1.56272 77.1 10.9 10.5 5.9
56 5 5 1 35.113 70.226 1.55507 36.6 5.2 5.0 5.9
57 12 0 0 35.646 71.292 1.53483 96.2 13.6 13.0 5.9
58 9 2 2 36.065 72.131 1.51936 22.8 3.2 3.1 5.9
59 0 6 0 36.241 72.482 1.513 171.0 24.2 23.1 5.9
60 10 3 1 36.415 72.831 1.50675 394.7 55.8 53.3 6.0
61 11 2 1 36.474 72.949 1.50465 11.8 1.7 1.6 6.0
62 6 5 1 36.678 73.356 1.49746 24.2 3.4 3.3 6.0
63 2 3 3 36.834 73.667 1.49203 103.2 14.6 13.9 6.0
64 5 2 3 36.892 73.785 1.48998 13.1 1.9 1.8 6.0
65 1 5 2 36.975 73.951 1.48712 24.1 3.4 3.2 6.0
66 3 3 3 37.535 75.07 1.46814 23.1 3.3 3.1 6.0
67 3 5 2 38.094 76.189 1.44979 93.3 13.2 12.5 6.0
68 4 6 0 38.483 76.966 1.43739 48.3 6.8 6.5 6.0
69 10 2 2 38.727 77.454 1.42974 8.3 1.2 1.1 6.0
70 11 3 1 39.344 78.689 1.41087 270.7 38.2 36.1 6.0
71 12 2 1 39.677 79.354 1.40096 19.6 2.8 2.6 6.0
72 5 3 3 39.752 79.504 1.39876 44.3 6.3 5.9 6.0
73 11 1 2 39.919 79.839 1.39387 42.0 5.9 5.6 6.0
74 7 2 3 40.221 80.443 1.38517 26.8 3.8 3.6 6.0
75 0 4 3 40.275 80.551 1.38362 67.9 9.6 9.0 6.1
76 1 4 3 40.412 80.825 1.37973 11.1 1.6 1.5 6.1
77 6 3 3 41.257 82.515 1.35639 99.8 14.1 13.2 6.1
78 8 2 3 42.266 84.533 1.3299 12.7 1.8 1.7 6.1
79 12 3 1 42.486 84.972 1.32433 69.0 9.7 9.1 6.1
80 9 5 1 42.874 85.747 1.31464 13.2 1.9 1.7 6.1
81 12 1 2 43.053 86.105 1.31024 83.8 11.8 11.0 6.1
82 0 0 4 43.097 86.194 1.30915 26.9 3.8 3.5 6.1
83 1 6 2 43.197 86.395 1.30671 9.4 1.3 1.2 6.1
84 1 0 4 43.233 86.465 1.30586 24.0 3.4 3.1 6.1
85 14 1 0 43.393 86.787 1.30197 27.7 3.9 3.6 6.1
86 7 5 2 43.566 87.131 1.29785 17.7 2.5 2.3 6.2
87 2 6 2 43.603 87.207 1.29695 64.0 9.0 8.4 6.2
88 1 1 4 43.79 87.579 1.29255 17.3 2.4 2.3 6.2
89 2 1 4 44.195 88.39 1.28311 13.2 1.9 1.7 6.2
90 3 6 2 44.28 88.559 1.28117 83.7 11.8 10.9 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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