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
10, t-olivine, f-olivine, s-forsterite
Mg(2)SiO(4)
Orthorhombic P bnm Z = 4
Pbnm
8 .10 .1992
Ref.Str.:
Catti M. (1989)
* Phys. Chem. Minerals, 16, 6, 582-590
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.754 alpha = 90.0
b = 10.194 beta = 90.0
c = 5.981 gamma = 90.0
Unit cell volume (cub. angs.) = 289.85
Molar volume ( cub.cm/mol.) = 43.65
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 0.9915 0.2774 0.25 0.0 Mg = 1.00
3 0.4262 0.094 0.25 0.0 Si = 1.00
4 0.7657 0.0913 0.25 0.0 O = 1.00
5 0.2785 0.9474 0.25 0.0 O = 1.00
6 0.2777 0.1628 0.0331 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 0.9915 0.2774 0.25
3 3 0.4262 0.094 0.25
4 4 0.7657 0.0913 0.25
5 5 0.2785 0.9474 0.25
6 6 0.2777 0.1628 0.0331
7 2 0.0085 0.7226 0.75
8 3 0.5738 0.906 0.75
9 4 0.2343 0.9087 0.75
10 5 0.7215 0.0526 0.75
11 6 0.7223 0.8372 0.9669
12 1 0.0 0.0 0.5
13 6 0.7223 0.8372 0.5331
14 6 0.2777 0.1628 0.4669
15 1 0.5 0.5 0.0
16 2 0.5085 0.7774 0.25
17 3 0.0738 0.594 0.25
18 4 0.7343 0.5913 0.25
19 5 0.2215 0.4474 0.25
20 6 0.2223 0.6628 0.0331
21 2 0.4915 0.2226 0.75
22 3 0.9262 0.406 0.75
23 4 0.2657 0.4087 0.75
24 5 0.7785 0.5526 0.75
25 6 0.7777 0.3372 0.9669
26 1 0.5 0.5 0.5
27 6 0.7777 0.3372 0.5331
28 6 0.2223 0.6628 0.4669
X-ray density (g/cm cub.) = 3.22
MU (1/cm) = 98.833 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
2.0839 4
2.0679 5
2.1299 6
2.0839 4
2.0679 5
2.1299 6
2 Mg 2.52 6
2.1797 4
2.2133 6
2.2133 6
2.0491 5
2.0668 6
2.0668 6
3 Si 2.1 4
1.6142 4
1.6512 5
1.635 6
1.635 6
4 O 3.264 12
2.8452 5
2.7416 5
2.8529 6
2.7562 6
3.0237 5
3.0237 5
3.1015 6
3.1015 6
2.8529 6
2.7562 6
3.0255 6
3.0255 6
5 O 3.264 10
2.7416 4
2.8452 4
2.5504 6
3.0237 4
3.0237 4
2.9292 6
2.9292 6
2.5504 6
3.1893 6
3.1893 6
6 O 3.264 10
2.7562 4
2.8529 4
2.5504 5
3.1015 4
2.9292 5
2.5946 6
3.1893 5
3.0255 4
2.9946 6
2.9946 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 8.692 17.384 0.098 84.63 2 29.8 178.7
2 1 1 0 10.299 20.598 0.116 59.66 4 8.8 22.0
3 0 2 1 11.453 22.905 0.129 47.84 4 47.5 514.6
4 1 0 1 11.945 23.89 0.134 43.81 4 29.1 176.0
5 1 1 1 12.729 25.458 0.143 38.33 8 17.5 112.1
6 1 2 0 12.801 25.602 0.144 37.88 4 25.6 118.0
7 1 2 1 14.849 29.699 0.166 27.64 8 13.7 49.1
8 0 0 2 14.926 29.853 0.167 27.33 2 46.7 142.0
9 1 3 0 16.179 32.358 0.181 22.98 4 67.7 502.2
10 0 2 2 17.376 34.751 0.194 19.68 4 7.5 5.2
11 0 4 0 17.593 35.185 0.196 19.15 2 1.2 0.1
12 1 3 1 17.876 35.753 0.199 18.5 8 60.4 641.5
13 1 1 2 18.273 36.545 0.204 17.63 8 69.0 799.9
14 2 0 0 18.908 37.817 0.21 16.35 2 9.8 3.7
15 0 4 1 19.18 38.361 0.213 15.84 4 37.3 105.1
16 2 1 0 19.436 38.871 0.216 15.38 4 33.3 81.1
17 1 2 2 19.862 39.724 0.221 14.66 8 49.9 347.7
18 1 4 0 20.056 40.112 0.223 14.35 4 59.1 238.6
19 2 1 1 20.904 41.808 0.232 13.08 8 36.1 162.2
20 2 2 0 20.951 41.901 0.232 13.02 4 4.9 1.5
21 1 4 1 21.489 42.978 0.238 12.3 8 0.2 0.0
22 1 3 2 22.3 44.6 0.246 11.31 8 18.7 37.7
23 2 2 1 22.337 44.673 0.247 11.27 8 3.8 1.6
24 2 3 0 23.295 46.591 0.257 10.25 4 24.3 28.9
25 0 4 2 23.398 46.796 0.258 10.15 4 20.8 20.9
26 1 5 0 24.273 48.546 0.267 9.34 4 35.1 54.8
27 2 0 2 24.453 48.907 0.269 9.18 4 17.5 13.4
28 0 2 3 24.511 49.022 0.269 9.13 4 8.4 3.1
29 2 3 1 24.577 49.154 0.27 9.08 8 3.6 1.1
30 1 0 3 24.769 49.538 0.272 8.92 4 7.0 2.1
31 2 1 2 24.885 49.769 0.273 8.82 8 9.3 7.3
32 1 1 3 25.196 50.393 0.276 8.58 8 18.8 28.9
33 1 4 2 25.398 50.795 0.278 8.42 8 5.8 2.7
34 1 5 1 25.518 51.035 0.28 8.33 8 19.5 30.0
35 2 2 2 26.147 52.294 0.286 7.88 8 86.0 554.9
36 2 4 0 26.304 52.608 0.288 7.78 4 66.4 163.1
37 1 2 3 26.448 52.896 0.289 7.68 8 22.8 37.8
38 0 6 0 26.96 53.921 0.294 7.35 2 6.0 0.6
39 2 4 1 27.482 54.964 0.3 7.04 8 41.7 116.8
40 0 6 1 28.119 56.239 0.306 6.68 4 59.8 113.8
41 2 3 2 28.161 56.323 0.306 6.66 8 21.3 28.6
42 1 3 3 28.448 56.896 0.309 6.51 8 51.3 163.2
43 1 6 0 28.781 57.561 0.313 6.34 4 18.7 10.5
44 1 5 2 29.02 58.04 0.315 6.22 8 22.4 29.6
45 0 4 3 29.376 58.752 0.318 6.05 4 53.5 82.5
46 3 1 0 29.467 58.934 0.319 6.01 4 31.5 28.3
47 2 5 0 29.851 59.702 0.323 5.84 4 7.2 1.5
48 1 6 1 29.893 59.786 0.324 5.82 8 2.0 0.2
49 3 0 1 30.189 60.378 0.326 5.69 4 23.7 15.2
50 3 1 1 30.564 61.128 0.33 5.54 8 22.7 27.2
51 3 2 0 30.599 61.199 0.33 5.52 4 29.1 22.3
52 2 1 3 30.657 61.314 0.331 5.5 8 25.5 34.0
53 2 4 2 30.834 61.668 0.333 5.43 8 29.3 44.4
54 2 5 1 30.94 61.88 0.334 5.39 8 30.3 47.1
55 0 0 4 31.008 62.015 0.334 5.36 2 139.8 249.5
56 1 4 3 31.105 62.21 0.335 5.33 8 11.8 7.0
57 0 6 2 31.428 62.857 0.338 5.21 4 119.4 353.5
58 3 2 1 31.673 63.346 0.341 5.12 8 14.5 10.3
59 2 2 3 31.764 63.529 0.342 5.09 8 17.9 15.5
60 3 3 0 32.435 64.87 0.348 4.86 4 33.4 25.7
61 0 2 4 32.47 64.94 0.348 4.85 4 22.1 11.3
62 1 1 4 33.045 66.089 0.354 4.67 8 3.4 0.5
63 1 6 2 33.095 66.19 0.354 4.66 8 9.1 3.7
64 3 3 1 33.476 66.952 0.358 4.54 8 38.9 65.5
65 2 3 3 33.565 67.13 0.359 4.52 8 4.1 0.7
66 1 7 0 33.586 67.173 0.359 4.51 4 66.3 94.5
67 3 1 2 33.73 67.459 0.36 4.47 8 40.0 68.2
68 2 6 0 33.868 67.736 0.362 4.43 4 11.4 2.7
69 2 5 2 34.087 68.173 0.364 4.38 8 10.4 4.5
70 1 2 4 34.11 68.219 0.364 4.37 8 8.9 3.3
71 1 5 3 34.344 68.687 0.366 4.31 8 12.7 6.6
72 1 7 1 34.61 69.22 0.369 4.24 8 13.6 7.5
73 3 2 2 34.785 69.569 0.37 4.2 8 67.1 180.1
74 2 6 1 34.887 69.775 0.371 4.17 8 14.3 8.1
75 3 4 0 34.917 69.834 0.372 4.16 4 58.0 66.7
76 1 3 4 35.851 71.702 0.38 3.95 8 46.5 81.5
77 3 4 1 35.923 71.846 0.381 3.94 8 32.9 40.6
78 2 4 3 36.009 72.018 0.382 3.92 8 20.3 15.3
79 3 3 2 36.512 73.023 0.386 3.81 8 3.4 0.4
80 0 6 3 36.56 73.121 0.387 3.8 4 47.6 41.0
81 0 4 4 36.675 73.35 0.388 3.78 4 9.4 1.6
82 0 8 0 37.193 74.385 0.392 3.68 2 10.6 1.0
83 2 0 4 37.488 74.977 0.395 3.63 4 29.8 15.4
84 1 7 2 37.606 75.211 0.396 3.61 8 16.2 9.0
85 2 1 4 37.826 75.653 0.398 3.57 8 20.8 14.7
86 2 6 2 37.874 75.748 0.399 3.56 8 18.1 11.1
87 3 5 0 37.999 75.997 0.4 3.54 4 19.4 6.3
88 1 6 3 38.12 76.24 0.401 3.52 8 18.7 11.7
89 0 8 1 38.175 76.35 0.401 3.52 4 18.0 5.4
90 1 4 4 38.233 76.466 0.402 3.51 8 25.3 21.4
91 2 7 0 38.339 76.677 0.403 3.49 4 19.5 6.3
92 3 0 3 38.384 76.768 0.403 3.48 4 38.7 24.8
93 3 1 3 38.72 77.439 0.406 3.43 8 11.7 4.4
94 1 8 0 38.743 77.487 0.406 3.43 4 14.1 3.2
95 2 2 4 38.835 77.67 0.407 3.41 8 1.6 0.1
96 3 4 2 38.879 77.758 0.407 3.41 8 21.0 14.3
97 3 5 1 38.974 77.948 0.408 3.39 8 5.8 1.1
98 2 5 3 39.058 78.115 0.409 3.38 8 29.7 28.4
99 2 7 1 39.312 78.623 0.411 3.35 8 13.6 5.9
100 1 8 1 39.713 79.427 0.415 3.29 8 10.4 3.4
101 3 2 3 39.721 79.443 0.415 3.29 8 5.9 1.1
102 4 0 0 40.399 80.799 0.421 3.21 2 77.4 45.7
103 2 3 4 40.5 81.0 0.422 3.19 8 19.7 11.8
104 4 1 0 40.73 81.461 0.424 3.17 4 8.1 1.0
105 0 8 2 41.078 82.156 0.427 3.13 4 23.8 8.5
106 1 5 4 41.229 82.458 0.428 3.11 8 29.2 25.3
107 3 3 3 41.377 82.755 0.429 3.1 8 34.3 34.7
108 0 2 5 41.409 82.819 0.429 3.1 4 39.2 22.6
109 1 0 5 41.606 83.213 0.431 3.08 4 30.5 13.7
110 3 6 0 41.659 83.318 0.431 3.07 4 0.7 0.0
111 4 1 1 41.689 83.378 0.432 3.07 8 9.8 2.8
112 4 2 0 41.72 83.441 0.432 3.06 4 1.9 0.1
113 3 5 2 41.863 83.727 0.433 3.05 8 38.0 42.0
114 1 1 5 41.936 83.871 0.434 3.04 8 7.6 1.7
115 2 7 2 42.195 84.391 0.436 3.02 8 29.9 25.6
116 1 7 3 42.436 84.871 0.438 3.0 8 15.2 6.6
117 1 8 2 42.592 85.183 0.439 2.99 8 27.0 20.7
118 3 6 1 42.614 85.229 0.439 2.98 8 33.9 32.7
119 4 2 1 42.675 85.351 0.44 2.98 8 7.8 1.7
120 2 6 3 42.696 85.393 0.44 2.98 8 15.9 7.2
121 2 4 4 42.806 85.612 0.441 2.97 8 42.1 50.2
122 1 2 5 42.921 85.842 0.442 2.96 8 1.5 0.1
123 2 8 0 43.305 86.609 0.445 2.93 4 44.8 28.0
124 0 6 4 43.333 86.667 0.445 2.93 4 14.8 3.0
125 4 3 0 43.362 86.725 0.446 2.93 4 23.0 7.4
126 3 4 3 43.676 87.353 0.448 2.91 8 37.9 39.8
127 4 0 2 44.22 88.441 0.453 2.87 4 5.4 0.4
128 2 8 1 44.256 88.512 0.453 2.87 8 16.9 7.8
129 4 3 1 44.314 88.627 0.453 2.87 8 3.3 0.3
130 1 9 0 44.354 88.709 0.454 2.86 4 8.2 0.9
131 4 1 2 44.548 89.095 0.455 2.85 8 30.2 24.8
132 1 3 5 44.559 89.117 0.455 2.85 8 41.8 47.3
133 1 6 4 44.838 89.677 0.458 2.84 8 12.2 4.0
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 8.692 17.384 5.097 178.7 22.3 22.7 5.6
2 1 1 0 10.299 20.598 4.30851 22.0 2.7 2.8 5.6
3 0 2 1 11.453 22.905 3.87939 514.6 64.3 65.1 5.6
4 1 0 1 11.945 23.89 3.72158 176.0 22.0 22.2 5.6
5 1 1 1 12.729 25.458 3.4959 112.1 14.0 14.1 5.6
6 1 2 0 12.801 25.602 3.47653 118.0 14.8 14.9 5.6
7 1 2 1 14.849 29.699 3.00566 49.1 6.1 6.2 5.6
8 0 0 2 14.926 29.853 2.9905 142.0 17.7 17.9 5.6
9 1 3 0 16.179 32.358 2.76444 502.2 62.8 63.0 5.6
10 1 3 1 17.876 35.753 2.50936 641.5 80.2 80.3 5.7
11 1 1 2 18.273 36.545 2.45671 799.9 100.0 100.0 5.7
12 0 4 1 19.18 38.361 2.34453 105.1 13.1 13.1 5.7
13 2 1 0 19.436 38.871 2.3149 81.1 10.1 10.1 5.7
14 1 2 2 19.862 39.724 2.26713 347.7 43.5 43.3 5.7
15 1 4 0 20.056 40.112 2.24611 238.6 29.8 29.7 5.7
16 2 1 1 20.904 41.808 2.15884 162.2 20.3 20.2 5.7
17 1 3 2 22.3 44.6 2.02997 37.7 4.7 4.7 5.7
18 2 3 0 23.295 46.591 1.94775 28.9 3.6 3.6 5.7
19 0 4 2 23.398 46.796 1.9397 20.9 2.6 2.6 5.7
20 1 5 0 24.273 48.546 1.87376 54.8 6.8 6.8 5.7
21 2 0 2 24.453 48.907 1.86079 13.4 1.7 1.7 5.7
22 1 1 3 25.196 50.393 1.80935 28.9 3.6 3.6 5.8
23 1 5 1 25.518 51.035 1.78806 30.0 3.8 3.7 5.8
24 2 2 2 26.147 52.294 1.74795 554.9 69.4 68.2 5.8
25 2 4 0 26.304 52.608 1.73826 163.1 20.4 20.0 5.8
26 1 2 3 26.448 52.896 1.72947 37.8 4.7 4.6 5.8
27 2 4 1 27.482 54.964 1.6692 116.8 14.6 14.3 5.8
28 0 6 1 28.119 56.239 1.63434 113.8 14.2 13.9 5.8
29 2 3 2 28.161 56.323 1.6321 28.6 3.6 3.5 5.8
30 1 3 3 28.448 56.896 1.61702 163.2 20.4 19.9 5.8
31 1 6 0 28.781 57.561 1.5999 10.5 1.3 1.3 5.8
32 1 5 2 29.02 58.04 1.58782 29.6 3.7 3.6 5.8
33 0 4 3 29.376 58.752 1.57027 82.5 10.3 10.1 5.8
34 3 1 0 29.467 58.934 1.56586 28.3 3.5 3.4 5.8
35 3 0 1 30.189 60.378 1.53181 15.2 1.9 1.8 5.8
36 3 1 1 30.564 61.128 1.51481 27.2 3.4 3.3 5.8
37 3 2 0 30.599 61.199 1.51322 22.3 2.8 2.7 5.8
38 2 1 3 30.657 61.314 1.51065 34.0 4.3 4.1 5.8
39 2 4 2 30.834 61.668 1.50283 44.4 5.5 5.4 5.8
40 2 5 1 30.94 61.88 1.49819 47.1 5.9 5.7 5.8
41 0 0 4 31.008 62.015 1.49525 249.5 31.2 30.2 5.8
42 0 6 2 31.428 62.857 1.47724 353.5 44.2 42.8 5.9
43 3 2 1 31.673 63.346 1.467 10.3 1.3 1.2 5.9
44 2 2 3 31.764 63.529 1.46322 15.5 1.9 1.9 5.9
45 3 3 0 32.435 64.87 1.43617 25.7 3.2 3.1 5.9
46 0 2 4 32.47 64.94 1.43479 11.3 1.4 1.4 5.9
47 3 3 1 33.476 66.952 1.39648 65.5 8.2 7.9 5.9
48 1 7 0 33.586 67.173 1.39242 94.5 11.8 11.4 5.9
49 3 1 2 33.73 67.459 1.3872 68.2 8.5 8.2 5.9
50 3 2 2 34.785 69.569 1.3502 180.1 22.5 21.6 5.9
51 2 6 1 34.887 69.775 1.34672 8.1 1.0 1.0 5.9
52 3 4 0 34.917 69.834 1.34572 66.7 8.3 8.0 5.9
53 1 3 4 35.851 71.702 1.31519 81.5 10.2 9.7 5.9
54 3 4 1 35.923 71.846 1.3129 40.6 5.1 4.8 5.9
55 2 4 3 36.009 72.018 1.31019 15.3 1.9 1.8 5.9
56 0 6 3 36.56 73.121 1.29313 41.0 5.1 4.9 6.0
57 2 0 4 37.488 74.977 1.26566 15.4 1.9 1.8 6.0
58 1 7 2 37.606 75.211 1.2623 9.0 1.1 1.1 6.0
59 2 1 4 37.826 75.653 1.25602 14.7 1.8 1.7 6.0
60 2 6 2 37.874 75.748 1.25468 11.1 1.4 1.3 6.0
61 1 6 3 38.12 76.24 1.24779 11.7 1.5 1.4 6.0
62 1 4 4 38.233 76.466 1.24468 21.4 2.7 2.5 6.0
63 3 0 3 38.384 76.768 1.24053 24.8 3.1 2.9 6.0
64 3 4 2 38.879 77.758 1.2272 14.3 1.8 1.7 6.0
65 2 5 3 39.058 78.115 1.22247 28.4 3.5 3.3 6.0
66 4 0 0 40.399 80.799 1.1885 45.7 5.7 5.3 6.1
67 2 3 4 40.5 81.0 1.18606 11.8 1.5 1.4 6.1
68 0 8 2 41.078 82.156 1.17227 8.5 1.1 1.0 6.1
69 1 5 4 41.229 82.458 1.16874 25.3 3.2 2.9 6.1
70 3 3 3 41.377 82.755 1.1653 34.7 4.3 4.0 6.1
71 0 2 5 41.409 82.819 1.16456 22.6 2.8 2.6 6.1
72 1 0 5 41.606 83.213 1.16004 13.7 1.7 1.6 6.1
73 3 5 2 41.863 83.727 1.15423 42.0 5.3 4.9 6.1
74 2 7 2 42.195 84.391 1.14683 25.6 3.2 3.0 6.1
75 3 6 1 42.614 85.229 1.13768 53.4 6.7 6.2 6.1
76 2 6 3 42.696 85.393 1.13592 8.9 1.1 1.0 6.1
77 2 4 4 42.806 85.612 1.13357 50.2 6.3 5.8 6.1
78 2 8 0 43.305 86.609 1.12306 31.1 3.9 3.6 6.1
79 3 4 3 43.676 87.353 1.1154 39.8 5.0 4.6 6.2
80 1 3 5 44.559 89.117 1.09783 72.2 9.0 8.3 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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