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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FORSTERITE
1, t-olivine, f-olivine, s-forsterite
Mg(2)SiO(4)
Orthorhombic P bnm Z = 4
Pbnm
4 .5 .1988
Ref.Str.:
Fujino K., Sasaki S. (1981)
* Acta Cryst., B37, 513-518
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.753 alpha = 90.0
b = 10.19 beta = 90.0
c = 5.978 gamma = 90.0
Unit cell volume (cub. angs.) = 289.53
Molar volume ( cub.cm/mol.) = 43.6
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Mg = 1.00
2 0.9917 0.2779 0.25 0.0 Mg = 1.00
3 0.4265 0.094 0.25 0.0 Si = 1.00
4 0.7659 0.0916 0.25 0.0 O = 1.00
5 0.2216 0.4471 0.25 0.0 O = 1.00
6 0.2775 0.1631 0.033 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.9917 0.2779 0.25
3 3 0.4265 0.094 0.25
4 4 0.7659 0.0916 0.25
5 5 0.2216 0.4471 0.25
6 6 0.2775 0.1631 0.033
7 2 0.0083 0.7221 0.75
8 3 0.5735 0.906 0.75
9 4 0.2341 0.9084 0.75
10 5 0.7784 0.553 0.75
11 6 0.7225 0.8369 0.967
12 1 0.0 0.0 0.5
13 6 0.7225 0.8369 0.533
14 6 0.2775 0.1631 0.467
15 1 0.5 0.5 0.0
16 2 0.5083 0.7779 0.25
17 3 0.0735 0.594 0.25
18 4 0.7341 0.5916 0.25
19 5 0.2784 0.947 0.25
20 6 0.2225 0.6631 0.033
21 2 0.4917 0.2221 0.75
22 3 0.9265 0.406 0.75
23 4 0.2659 0.4084 0.75
24 5 0.7216 0.053 0.75
25 6 0.7775 0.3369 0.967
26 1 0.5 0.5 0.5
27 6 0.7775 0.3369 0.533
28 6 0.2225 0.6631 0.467
X-ray density (g/cm cub.) = 3.23
MU (1/cm) = 98.942 Mass attenuation coefficient (cm**2/g) = 30.665
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.0837 4
2.131 6
2.0837 4
2.131 6
2.0676 5
2.0676 5
2 Mg 2.52 6
2.1813 4
2.0407 5
2.2129 6
2.2129 6
2.0641 6
2.0641 6
3 Si 2.1 4
1.6138 4
1.6367 6
1.6367 6
1.6549 5
4 O 3.264 12
2.8506 6
2.7574 6
3.1048 6
3.1048 6
2.8506 6
2.7574 6
2.8461 5
2.7457 5
3.0221 5
3.0221 5
3.0193 6
3.0193 6
5 O 3.264 10
3.1819 6
3.1819 6
2.8461 4
2.7457 4
2.5552 6
3.0221 4
3.0221 4
2.929 6
2.929 6
2.5552 6
6 O 3.264 10
2.7574 4
2.8506 4
3.1819 5
3.1048 4
2.594 6
2.5552 5
3.0193 4
2.929 5
2.99 6
2.99 6
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 0 2 0 8.696 17.391 0.098 84.57 2 29.5 175.5
2 1 1 0 10.301 20.603 0.116 59.63 4 8.8 22.2
3 0 2 1 11.458 22.915 0.129 47.8 4 47.2 507.7
4 1 0 1 11.949 23.898 0.134 43.78 4 29.0 175.9
5 1 1 1 12.733 25.466 0.143 38.3 8 17.5 112.2
6 1 2 0 12.805 25.61 0.144 37.85 4 25.3 115.7
7 1 2 1 14.855 29.709 0.166 27.62 8 13.6 48.5
8 0 0 2 14.934 29.868 0.167 27.3 2 46.7 142.0
9 1 3 0 16.184 32.369 0.181 22.96 4 68.0 507.4
10 0 2 2 17.384 34.768 0.194 19.66 4 7.4 5.1
11 0 4 0 17.6 35.2 0.196 19.14 2 1.6 0.1
12 1 3 1 17.883 35.766 0.199 18.48 8 60.2 638.2
13 1 1 2 18.281 36.561 0.204 17.61 8 69.2 803.6
14 2 0 0 18.912 37.825 0.21 16.34 2 9.9 3.8
15 0 4 1 19.189 38.377 0.213 15.82 4 37.5 106.1
16 2 1 0 19.44 38.88 0.216 15.37 4 33.1 80.5
17 1 2 2 19.871 39.742 0.221 14.65 8 50.0 349.3
18 1 4 0 20.063 40.127 0.223 14.33 4 59.3 240.3
19 2 1 1 20.91 41.819 0.232 13.07 8 36.0 161.8
20 2 2 0 20.956 41.912 0.232 13.01 4 5.3 1.7
21 1 4 1 21.497 42.995 0.238 12.28 8 0.3 0.0
22 1 3 2 22.309 44.619 0.246 11.3 8 18.3 36.3
23 2 2 1 22.343 44.686 0.247 11.26 8 3.9 1.6
24 2 3 0 23.302 46.604 0.257 10.24 4 24.3 28.9
25 0 4 2 23.409 46.817 0.258 10.14 4 21.6 22.5
26 1 5 0 24.283 48.565 0.267 9.33 4 34.7 53.7
27 2 0 2 24.462 48.924 0.269 9.17 4 17.6 13.6
28 0 2 3 24.524 49.047 0.269 9.12 4 8.3 3.0
29 2 3 1 24.585 49.169 0.27 9.07 8 3.6 1.1
30 1 0 3 24.781 49.562 0.272 8.91 4 6.9 2.0
31 2 1 2 24.893 49.787 0.273 8.82 8 9.3 7.2
32 1 1 3 25.209 50.417 0.276 8.57 8 18.8 28.8
33 1 4 2 25.409 50.817 0.279 8.41 8 5.9 2.8
34 1 5 1 25.528 51.056 0.28 8.32 8 19.0 28.8
35 2 2 2 26.156 52.313 0.286 7.88 8 85.9 554.6
36 2 4 0 26.312 52.625 0.288 7.77 4 66.1 161.8
37 1 2 3 26.461 52.922 0.289 7.67 8 22.7 37.9
38 0 6 0 26.972 53.943 0.294 7.34 2 5.5 0.5
39 2 4 1 27.491 54.982 0.3 7.03 8 42.2 119.8
40 0 6 1 28.132 56.263 0.306 6.67 4 60.1 115.2
41 2 3 2 28.172 56.344 0.306 6.65 8 21.4 29.0
42 1 3 3 28.462 56.923 0.309 6.5 8 51.2 162.5
43 1 6 0 28.792 57.584 0.313 6.33 4 18.1 9.9
44 1 5 2 29.033 58.066 0.315 6.21 8 22.6 30.3
45 0 4 3 29.391 58.782 0.319 6.05 4 53.7 83.3
46 3 1 0 29.474 58.948 0.319 6.01 4 31.1 27.6
47 2 5 0 29.861 59.723 0.323 5.83 4 7.2 1.5
48 1 6 1 29.906 59.811 0.324 5.81 8 1.8 0.2
49 3 0 1 30.197 60.393 0.326 5.69 4 23.7 15.2
50 3 1 1 30.572 61.144 0.33 5.54 8 22.6 26.9
51 3 2 0 30.607 61.214 0.33 5.52 4 29.2 22.4
52 2 1 3 30.67 61.34 0.331 5.5 8 25.5 34.0
53 2 4 2 30.846 61.692 0.333 5.43 8 29.3 44.4
54 2 5 1 30.951 61.902 0.334 5.39 8 30.3 47.2
55 0 0 4 31.025 62.05 0.335 5.36 2 139.8 249.7
56 1 4 3 31.12 62.24 0.335 5.32 8 11.6 6.9
57 0 6 2 31.443 62.886 0.339 5.2 4 119.0 351.7
58 3 2 1 31.682 63.364 0.341 5.12 8 14.4 10.1
59 2 2 3 31.778 63.556 0.342 5.08 8 17.8 15.3
60 3 3 0 32.444 64.888 0.348 4.86 4 33.7 26.3
61 0 2 4 32.488 64.976 0.349 4.84 4 22.0 11.2
62 1 1 4 33.062 66.125 0.354 4.67 8 3.5 0.5
63 1 6 2 33.11 66.22 0.355 4.65 8 9.2 3.7
64 3 3 1 33.486 66.972 0.358 4.54 8 39.0 65.8
65 2 3 3 33.579 67.159 0.359 4.51 8 4.0 0.7
66 1 7 0 33.601 67.202 0.359 4.51 4 66.6 95.4
67 3 1 2 33.74 67.481 0.361 4.47 8 40.2 69.0
68 2 6 0 33.88 67.761 0.362 4.43 4 10.9 2.5
69 2 5 2 34.1 68.201 0.364 4.37 8 10.2 4.3
70 1 2 4 34.128 68.256 0.364 4.36 8 8.8 3.2
71 1 5 3 34.36 68.721 0.366 4.3 8 12.4 6.3
72 1 7 1 34.625 69.251 0.369 4.24 8 14.2 8.2
73 3 2 2 34.796 69.592 0.37 4.19 8 67.2 180.5
74 2 6 1 34.901 69.802 0.371 4.17 8 14.6 8.4
75 3 4 0 34.928 69.855 0.372 4.16 4 58.1 67.0
76 1 3 4 35.87 71.74 0.38 3.95 8 46.8 82.4
77 3 4 1 35.935 71.869 0.381 3.93 8 32.8 40.4
78 2 4 3 36.025 72.05 0.382 3.91 8 20.6 15.9
79 3 3 2 36.524 73.048 0.386 3.81 8 3.5 0.5
80 0 6 3 36.579 73.158 0.387 3.8 4 48.1 41.9
81 0 4 4 36.695 73.39 0.388 3.78 4 9.1 1.5
82 0 8 0 37.21 74.419 0.393 3.68 2 9.7 0.8
83 2 0 4 37.507 75.013 0.395 3.63 4 29.9 15.5
84 1 7 2 37.623 75.246 0.396 3.61 8 16.3 9.1
85 2 1 4 37.845 75.69 0.398 3.57 8 20.7 14.6
86 2 6 2 37.89 75.78 0.399 3.56 8 17.5 10.5
87 3 5 0 38.011 76.022 0.4 3.54 4 19.3 6.3
88 1 6 3 38.139 76.279 0.401 3.52 8 18.9 12.0
89 0 8 1 38.193 76.386 0.401 3.51 4 17.8 5.3
90 1 4 4 38.254 76.507 0.402 3.5 8 25.4 21.6
91 2 7 0 38.354 76.709 0.403 3.49 4 19.4 6.2
92 3 0 3 38.399 76.797 0.403 3.48 4 38.7 24.9
93 3 1 3 38.735 77.469 0.406 3.43 8 11.6 4.4
94 1 8 0 38.761 77.522 0.406 3.42 4 14.2 3.3
95 2 2 4 38.854 77.709 0.407 3.41 8 1.8 0.1
96 3 4 2 38.893 77.786 0.408 3.41 8 20.9 14.1
97 3 5 1 38.988 77.975 0.408 3.39 8 5.6 1.0
98 2 5 3 39.076 78.151 0.409 3.38 8 29.7 28.5
99 2 7 1 39.328 78.656 0.411 3.34 8 13.7 6.0
100 1 8 1 39.732 79.464 0.415 3.29 8 10.6 3.5
101 3 2 3 39.737 79.474 0.415 3.29 8 5.7 1.0
102 4 0 0 40.41 80.819 0.421 3.2 2 77.6 46.1
103 2 3 4 40.52 81.04 0.422 3.19 8 19.7 11.9
104 4 1 0 40.741 81.482 0.424 3.17 4 8.0 1.0
105 0 8 2 41.098 82.197 0.427 3.13 4 24.1 8.6
106 1 5 4 41.252 82.503 0.428 3.11 8 28.9 24.9
107 3 3 3 41.394 82.788 0.429 3.1 8 34.3 34.8
108 0 2 5 41.434 82.869 0.43 3.09 4 38.9 22.4
109 1 0 5 41.631 83.262 0.431 3.07 4 30.5 13.6
110 3 6 0 41.674 83.348 0.432 3.07 4 0.3 0.0
111 4 1 1 41.701 83.401 0.432 3.07 8 9.9 2.8
112 4 2 0 41.732 83.463 0.432 3.06 4 1.9 0.1
113 3 5 2 41.879 83.759 0.433 3.05 8 38.2 42.5
114 1 1 5 41.961 83.921 0.434 3.04 8 7.6 1.7
115 2 7 2 42.214 84.429 0.436 3.02 8 29.8 25.5
116 1 7 3 42.457 84.915 0.438 3.0 8 15.7 7.0
117 1 8 2 42.613 85.225 0.439 2.98 8 26.7 20.2
118 3 6 1 42.63 85.261 0.44 2.98 8 33.8 32.6
119 4 2 1 42.688 85.375 0.44 2.98 8 7.9 1.8
120 2 6 3 42.717 85.433 0.44 2.98 8 16.0 7.3
121 2 4 4 42.828 85.656 0.441 2.97 8 41.9 49.8
122 1 2 5 42.947 85.893 0.442 2.96 8 1.4 0.1
123 2 8 0 43.324 86.647 0.445 2.93 4 44.5 27.6
124 0 6 4 43.358 86.716 0.446 2.93 4 14.4 2.9
125 4 3 0 43.375 86.75 0.446 2.93 4 23.2 7.5
126 3 4 3 43.695 87.39 0.448 2.9 8 37.7 39.4
127 4 0 2 44.234 88.468 0.453 2.87 4 5.3 0.4
128 2 8 1 44.276 88.552 0.453 2.87 8 16.8 7.7
129 4 3 1 44.327 88.654 0.454 2.86 8 3.3 0.3
130 1 9 0 44.376 88.752 0.454 2.86 4 8.2 0.9
131 4 1 2 44.562 89.123 0.455 2.85 8 30.1 24.6
132 1 3 5 44.585 89.171 0.456 2.85 8 41.6 47.1
133 1 6 4 44.864 89.727 0.458 2.84 8 11.9 3.8
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 0 2 0 8.696 17.391 5.095 175.5 21.8 22.2 5.6
2 1 1 0 10.301 20.603 4.30747 22.2 2.8 2.8 5.6
3 0 2 1 11.458 22.915 3.87769 507.7 63.2 63.9 5.6
4 1 0 1 11.949 23.898 3.72038 175.9 21.9 22.1 5.6
5 1 1 1 12.733 25.466 3.49474 112.2 14.0 14.1 5.6
6 1 2 0 12.805 25.61 3.4755 115.7 14.4 14.5 5.6
7 1 2 1 14.855 29.709 3.00461 48.5 6.0 6.1 5.6
8 0 0 2 14.934 29.868 2.989 142.0 17.7 17.8 5.6
9 1 3 0 16.184 32.369 2.76352 507.4 63.1 63.4 5.6
10 1 3 1 17.883 35.766 2.50846 638.2 79.4 79.5 5.7
11 1 1 2 18.281 36.561 2.45569 803.6 100.0 100.0 5.7
12 0 4 1 19.189 38.377 2.34358 106.1 13.2 13.2 5.7
13 2 1 0 19.44 38.88 2.31439 80.5 10.0 10.0 5.7
14 1 2 2 19.871 39.742 2.26619 349.3 43.5 43.3 5.7
15 1 4 0 20.063 40.127 2.24532 240.3 29.9 29.8 5.7
16 2 1 1 20.91 41.819 2.15829 161.8 20.1 20.0 5.7
17 1 3 2 22.309 44.619 2.02914 36.3 4.5 4.5 5.7
18 2 3 0 23.302 46.604 1.94722 28.9 3.6 3.6 5.7
19 0 4 2 23.409 46.817 1.93885 22.5 2.8 2.8 5.7
20 1 5 0 24.283 48.565 1.87307 53.7 6.7 6.6 5.7
21 2 0 2 24.462 48.924 1.86019 13.6 1.7 1.7 5.7
22 1 1 3 25.209 50.417 1.80852 28.8 3.6 3.5 5.8
23 1 5 1 25.528 51.056 1.78739 28.8 3.6 3.5 5.8
24 2 2 2 26.156 52.313 1.74737 554.6 69.0 67.8 5.8
25 2 4 0 26.312 52.625 1.73775 161.8 20.1 19.8 5.8
26 1 2 3 26.461 52.922 1.72869 37.9 4.7 4.6 5.8
27 2 4 1 27.491 54.982 1.66868 119.8 14.9 14.6 5.8
28 0 6 1 28.132 56.263 1.63368 115.2 14.3 14.0 5.8
29 2 3 2 28.172 56.344 1.63154 29.0 3.6 3.5 5.8
30 1 3 3 28.462 56.923 1.6163 162.5 20.2 19.8 5.8
31 1 6 0 28.792 57.584 1.5993 9.9 1.2 1.2 5.8
32 1 5 2 29.033 58.066 1.58718 30.3 3.8 3.7 5.8
33 0 4 3 29.391 58.782 1.56954 83.3 10.4 10.1 5.8
34 3 1 0 29.474 58.948 1.56552 27.6 3.4 3.4 5.8
35 3 0 1 30.197 60.393 1.53146 15.2 1.9 1.8 5.8
36 3 1 1 30.572 61.144 1.51445 26.9 3.3 3.3 5.8
37 3 2 0 30.607 61.214 1.51288 22.4 2.8 2.7 5.8
38 2 1 3 30.67 61.34 1.51007 34.0 4.2 4.1 5.8
39 2 4 2 30.846 61.692 1.50231 44.4 5.5 5.4 5.8
40 2 5 1 30.951 61.902 1.4977 47.2 5.9 5.7 5.8
41 0 0 4 31.025 62.05 1.4945 249.7 31.1 30.1 5.8
42 0 6 2 31.443 62.886 1.47662 351.7 43.8 42.4 5.9
43 3 2 1 31.682 63.364 1.46664 10.1 1.3 1.2 5.9
44 2 2 3 31.778 63.556 1.46266 15.3 1.9 1.8 5.9
45 3 3 0 32.444 64.888 1.43582 26.3 3.3 3.2 5.9
46 0 2 4 32.488 64.976 1.43408 11.2 1.4 1.3 5.9
47 3 3 1 33.486 66.972 1.39612 65.8 8.2 7.9 5.9
48 1 7 0 33.601 67.202 1.3919 95.4 11.9 11.4 5.9
49 3 1 2 33.74 67.481 1.38682 69.0 8.6 8.3 5.9
50 1 7 1 34.625 69.251 1.35563 8.2 1.0 1.0 5.9
51 3 2 2 34.796 69.592 1.34982 180.5 22.5 21.5 5.9
52 3 4 0 34.928 69.855 1.34537 75.4 9.4 9.0 5.9
53 1 3 4 35.87 71.74 1.31458 82.4 10.3 9.8 5.9
54 3 4 1 35.935 71.869 1.31254 40.4 5.0 4.8 5.9
55 2 4 3 36.025 72.05 1.30969 15.9 2.0 1.9 5.9
56 0 6 3 36.579 73.158 1.29256 41.9 5.2 5.0 6.0
57 2 0 4 37.507 75.013 1.26513 15.5 1.9 1.8 6.0
58 1 7 2 37.623 75.246 1.26179 9.1 1.1 1.1 6.0
59 2 1 4 37.845 75.69 1.25549 14.6 1.8 1.7 6.0
60 2 6 2 37.89 75.78 1.25423 10.5 1.3 1.2 6.0
61 1 6 3 38.139 76.279 1.24727 12.0 1.5 1.4 6.0
62 1 4 4 38.254 76.507 1.24411 21.6 2.7 2.5 6.0
63 3 0 3 38.399 76.797 1.24013 24.9 3.1 2.9 6.0
64 3 4 2 38.893 77.786 1.22682 14.1 1.8 1.7 6.0
65 2 5 3 39.076 78.151 1.222 28.5 3.5 3.3 6.0
66 4 0 0 40.41 80.819 1.18825 46.1 5.7 5.4 6.1
67 2 3 4 40.52 81.04 1.18556 11.9 1.5 1.4 6.1
68 0 8 2 41.098 82.197 1.17179 8.6 1.1 1.0 6.1
69 1 5 4 41.252 82.503 1.16821 24.9 3.1 2.9 6.1
70 3 3 3 41.394 82.788 1.16491 34.8 4.3 4.0 6.1
71 0 2 5 41.434 82.869 1.16398 22.4 2.8 2.6 6.1
72 1 0 5 41.631 83.262 1.15948 13.6 1.7 1.6 6.1
73 3 5 2 41.879 83.759 1.15387 42.5 5.3 4.9 6.1
74 2 7 2 42.214 84.429 1.14641 25.5 3.2 2.9 6.1
75 3 6 1 42.63 85.261 1.13734 52.8 6.6 6.1 6.1
76 2 6 3 42.717 85.433 1.13548 9.0 1.1 1.0 6.1
77 2 4 4 42.828 85.656 1.1331 49.8 6.2 5.7 6.1
78 2 8 0 43.324 86.647 1.12266 27.6 3.4 3.2 6.1
79 4 3 0 43.375 86.75 1.1216 10.4 1.3 1.2 6.1
80 3 4 3 43.695 87.39 1.11503 39.4 4.9 4.5 6.2
81 1 3 5 44.585 89.171 1.09731 71.7 8.9 8.2 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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