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
31, t-olivine, syn, f-olivine, s-forsterite
[Fe(0.27)Mg(1.73)]SiO(4)
Orthorhombic P nma Z = 4
R =0.0321 NR =975
27 .1 .1992
Ref.Str.:
Nover G., Will G. (1981)
* Z. Kristallogr., 155, 27-45
Reserv:
In original - olivine[16].
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.2729 alpha = 90.0
b = 6.004 beta = 90.0
c = 4.7678 gamma = 90.0
Unit cell volume (cub. angs.) = 294.07
Molar volume ( cub.cm/mol.) = 44.28
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 Fe = 0.15, Mg = 0.85
2 0.2778 0.25 0.989 0.0 Mg = 0.87, Fe = 0.13
3 0.0946 0.25 0.427 0.0 Si = 1.00
4 0.0917 0.25 0.766 0.0 O = 1.00
5 0.4478 0.25 0.2205 0.0 O = 1.00
6 0.1633 0.0332 0.2786 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 0.2778 0.25 0.989
3 3 0.0946 0.25 0.427
4 4 0.0917 0.25 0.766
5 5 0.4478 0.25 0.2205
6 6 0.1633 0.0332 0.2786
7 1 0.5 0.0 0.5
8 2 0.2222 0.75 0.489
9 3 0.4054 0.75 0.927
10 4 0.4083 0.75 0.266
11 5 0.0522 0.75 0.7205
12 6 0.3367 0.9668 0.7786
13 1 0.5 0.5 0.5
14 6 0.3367 0.5332 0.7786
15 1 0.0 0.5 0.0
16 6 0.1633 0.4668 0.2786
17 2 0.7778 0.25 0.511
18 3 0.5946 0.25 0.073
19 4 0.5917 0.25 0.734
20 5 0.9478 0.25 0.2795
21 6 0.6633 0.0332 0.2214
22 2 0.7222 0.75 0.011
23 3 0.9054 0.75 0.573
24 4 0.9083 0.75 0.234
25 5 0.5522 0.75 0.7795
26 6 0.8367 0.9668 0.7214
27 6 0.8367 0.5332 0.7214
28 6 0.6633 0.4668 0.2214
X-ray density (g/cm cub.) = 3.37
MU (1/cm) = 197.274 Mass attenuation coefficient (cm**2/g) = 58.539
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Mg 2.592 6
2.0941 4
2.149 6
2.0776 5
2.0776 5
2.0941 4
2.149 6
2 Mg ,Fe 2.592 6
2.1875 4
2.0659 5
2.2326 6
2.0648 6
2.0648 6
2.2326 6
3 Si 2.1 4
1.6166 4
1.641 6
1.641 6
1.664 5
4 O 3.264 12
2.865 6
2.7632 6
3.0371 5
3.0371 5
3.038 6
3.038 6
2.865 6
2.7632 6
2.8599 5
2.7505 5
3.1303 6
3.1303 6
5 O 3.264 10
3.2114 6
3.0371 4
3.0371 4
2.9382 6
2.9382 6
3.2114 6
2.8599 4
2.7505 4
2.5681 6
2.5681 6
6 O 3.264 10
2.7632 4
2.865 4
3.2114 5
3.038 4
2.9382 5
3.0025 6
3.0025 6
2.6033 6
2.5681 5
3.1303 4
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 2 0 0 8.625 17.25 0.097 85.99 2 30.5 184.5
2 1 0 1 10.26 20.519 0.116 60.13 4 3.4 3.2
3 2 1 0 11.382 22.765 0.128 48.46 4 45.7 469.1
4 0 1 1 11.906 23.812 0.134 44.11 4 27.9 158.3
5 1 1 1 12.68 25.36 0.142 38.64 8 22.9 186.8
6 2 0 1 12.734 25.469 0.143 38.3 4 25.7 117.2
7 2 1 1 14.776 29.553 0.166 27.93 8 14.5 54.2
8 0 2 0 14.868 29.736 0.167 27.56 2 46.0 134.8
9 3 0 1 16.078 32.157 0.18 23.29 4 77.4 645.0
10 2 2 0 17.289 34.579 0.193 19.9 4 18.2 30.4
11 4 0 0 17.453 34.906 0.195 19.49 2 8.3 3.1
12 3 1 1 17.772 35.543 0.198 18.73 8 64.5 722.0
13 1 2 1 18.201 36.402 0.203 17.78 8 75.9 947.1
14 0 0 2 18.852 37.703 0.21 16.46 2 20.8 16.5
15 4 1 0 19.039 38.078 0.212 16.1 4 40.2 120.6
16 1 0 2 19.372 38.744 0.215 15.49 4 35.4 90.0
17 2 2 1 19.772 39.543 0.22 14.81 8 49.7 337.8
18 4 0 1 19.918 39.836 0.221 14.57 4 60.3 245.2
19 1 1 2 20.833 41.667 0.231 13.18 8 35.9 157.3
20 2 0 2 20.868 41.737 0.231 13.13 4 6.4 2.5
21 4 1 1 21.348 42.696 0.236 12.48 8 0.1 0.0
22 3 2 1 22.182 44.363 0.245 11.45 8 21.5 48.9
23 2 1 2 22.248 44.497 0.246 11.37 8 5.3 3.0
24 3 0 2 23.185 46.371 0.256 10.36 4 22.5 24.3
25 4 2 0 23.248 46.495 0.256 10.3 4 23.5 26.3
26 5 0 1 24.094 48.188 0.265 9.49 4 36.6 58.8
27 0 2 2 24.369 48.737 0.268 9.25 4 16.9 12.2
28 2 3 0 24.398 48.795 0.268 9.23 4 7.0 2.1
29 3 1 2 24.462 48.923 0.269 9.17 8 3.0 0.8
30 0 3 1 24.672 49.343 0.271 9.0 4 8.0 2.7
31 1 2 2 24.794 49.589 0.272 8.9 8 10.5 9.1
32 1 3 1 25.094 50.187 0.275 8.66 8 23.0 42.5
33 4 2 1 25.245 50.49 0.277 8.54 8 5.4 2.3
34 5 1 1 25.336 50.672 0.278 8.47 8 22.6 40.2
35 2 2 2 26.041 52.082 0.285 7.96 8 94.8 661.5
36 4 0 2 26.159 52.318 0.286 7.87 4 73.5 196.5
37 2 3 1 26.33 52.66 0.288 7.76 8 23.6 40.1
38 6 0 0 26.737 53.473 0.292 7.49 2 2.1 0.1
39 4 1 2 27.332 54.665 0.298 7.13 8 44.6 131.3
40 6 1 0 27.893 55.787 0.304 6.8 4 64.7 131.9
41 3 2 2 28.03 56.061 0.305 6.73 8 19.7 24.2
42 3 3 1 28.305 56.611 0.308 6.58 8 54.6 181.8
43 6 0 1 28.556 57.112 0.31 6.45 4 17.7 9.3
44 5 2 1 28.828 57.656 0.313 6.31 8 30.0 52.4
45 4 3 0 29.206 58.411 0.317 6.13 4 56.2 89.5
46 1 0 3 29.37 58.739 0.318 6.06 4 35.3 34.9
47 5 0 2 29.666 59.331 0.321 5.92 4 7.4 1.5
48 6 1 1 29.666 59.331 0.321 5.92 8 2.8 0.4
49 0 1 3 30.091 60.181 0.325 5.73 4 21.6 12.4
50 1 1 3 30.461 60.921 0.329 5.58 8 25.8 34.5
51 2 0 3 30.487 60.974 0.329 5.57 4 30.1 23.3
52 1 3 2 30.537 61.074 0.33 5.55 8 25.2 32.6
53 4 2 2 30.67 61.341 0.331 5.5 8 31.2 49.5
54 5 1 2 30.75 61.5 0.332 5.46 8 31.3 49.6
55 0 4 0 30.876 61.751 0.333 5.42 2 148.2 275.0
56 4 3 1 30.93 61.861 0.334 5.39 8 11.4 6.4
57 6 2 0 31.193 62.385 0.336 5.29 4 125.3 384.2
58 2 1 3 31.555 63.11 0.34 5.16 8 16.3 12.6
59 2 3 2 31.63 63.26 0.34 5.13 8 16.7 13.2
60 3 0 3 32.299 64.597 0.347 4.91 4 39.4 35.2
61 2 4 0 32.32 64.639 0.347 4.9 4 22.6 11.6
62 6 2 1 32.856 65.712 0.352 4.73 8 9.1 3.6
63 1 4 1 32.902 65.805 0.353 4.71 8 0.1 0.0
64 7 0 1 33.31 66.621 0.356 4.59 4 73.6 115.1
65 3 1 3 33.334 66.668 0.357 4.59 8 42.4 76.2
66 3 3 2 33.407 66.814 0.357 4.56 8 4.9 1.0
67 1 2 3 33.608 67.216 0.359 4.51 8 45.2 85.0
68 6 0 2 33.635 67.27 0.36 4.5 4 9.0 1.7
69 5 2 2 33.883 67.765 0.362 4.43 8 10.7 4.7
70 2 4 1 33.953 67.907 0.363 4.41 8 9.0 3.3
71 5 3 1 34.129 68.259 0.364 4.36 8 15.2 9.4
72 7 1 1 34.33 68.66 0.366 4.31 8 13.4 7.2
73 2 2 3 34.649 69.297 0.369 4.23 8 67.6 179.1
74 6 1 2 34.65 69.3 0.369 4.23 8 17.7 12.3
75 4 0 3 34.748 69.496 0.37 4.21 4 56.2 61.5
76 3 4 1 35.672 71.344 0.379 3.99 8 52.8 102.8
77 4 1 3 35.749 71.497 0.379 3.97 8 34.9 44.9
78 4 3 2 35.819 71.639 0.38 3.96 8 22.5 18.5
79 6 3 0 36.303 72.607 0.384 3.86 4 52.1 48.4
80 3 2 3 36.352 72.704 0.385 3.85 8 1.9 0.1
81 4 4 0 36.47 72.939 0.386 3.82 4 15.6 4.3
82 8 0 0 36.859 73.719 0.389 3.75 2 15.2 2.0
83 7 2 1 37.312 74.625 0.393 3.66 8 15.1 7.7
84 0 4 2 37.332 74.664 0.394 3.66 4 37.2 23.4
85 6 2 2 37.622 75.244 0.396 3.61 8 23.4 18.2
86 1 4 2 37.665 75.331 0.397 3.6 8 22.2 16.3
87 5 0 3 37.789 75.578 0.398 3.58 4 21.6 7.7
88 8 1 0 37.837 75.674 0.398 3.57 4 15.1 3.8
89 6 3 1 37.858 75.716 0.398 3.57 8 18.2 10.9
90 4 4 1 38.022 76.044 0.4 3.54 8 26.1 22.3
91 7 0 2 38.051 76.101 0.4 3.54 4 20.0 6.6
92 0 3 3 38.236 76.473 0.402 3.51 4 36.9 22.0
93 8 0 1 38.406 76.812 0.403 3.48 4 13.4 2.9
94 1 3 3 38.567 77.135 0.405 3.45 8 14.0 6.2
95 2 4 2 38.66 77.32 0.405 3.44 8 2.5 0.2
96 4 2 3 38.687 77.374 0.406 3.44 8 19.3 11.8
97 5 1 3 38.759 77.517 0.406 3.42 8 7.3 1.7
98 5 3 2 38.827 77.654 0.407 3.41 8 30.8 29.9
99 7 1 2 39.018 78.036 0.409 3.39 8 11.9 4.5
100 8 1 1 39.371 78.742 0.412 3.34 8 10.4 3.3
101 2 3 3 39.555 79.11 0.413 3.31 8 7.3 1.6
102 0 0 4 40.258 80.517 0.419 3.22 2 83.8 52.3
103 3 4 2 40.301 80.602 0.42 3.22 8 18.4 10.1
104 1 0 4 40.585 81.169 0.422 3.18 4 10.1 1.5
105 8 2 0 40.725 81.45 0.424 3.17 4 25.8 9.7
106 5 4 1 40.977 81.953 0.426 3.14 8 30.3 26.7
107 3 3 3 41.187 82.374 0.427 3.12 8 37.2 40.0
108 2 5 0 41.206 82.412 0.428 3.12 4 38.3 21.1
109 6 0 3 41.399 82.798 0.429 3.1 4 1.2 0.0
110 0 5 1 41.415 82.829 0.429 3.09 4 29.9 12.8
111 1 1 4 41.537 83.073 0.43 3.08 8 9.2 2.4
112 2 0 4 41.56 83.12 0.431 3.08 4 3.2 0.1
113 5 2 3 41.629 83.259 0.431 3.07 8 43.7 54.3
114 1 5 1 41.739 83.478 0.432 3.06 8 10.4 3.1
115 7 2 2 41.885 83.769 0.433 3.05 8 31.0 27.1
116 7 3 1 42.115 84.229 0.435 3.03 8 15.1 6.4
117 8 2 1 42.232 84.464 0.436 3.02 8 27.6 21.2
118 6 1 3 42.348 84.695 0.437 3.01 8 33.0 30.3
119 6 3 2 42.415 84.83 0.438 3.0 8 18.6 9.7
120 2 1 4 42.508 85.017 0.439 2.99 8 8.3 1.9
121 4 4 2 42.574 85.148 0.439 2.99 8 47.2 61.7
122 2 5 1 42.71 85.42 0.44 2.98 8 1.9 0.1
123 8 0 2 42.949 85.898 0.442 2.96 4 49.2 33.1
124 6 4 0 43.036 86.073 0.443 2.95 4 12.1 2.0
125 3 0 4 43.178 86.356 0.444 2.94 4 21.4 6.2
126 4 3 3 43.452 86.905 0.446 2.92 8 39.5 42.2
127 8 1 2 43.893 87.787 0.45 2.89 8 19.9 10.6
128 9 0 1 43.94 87.88 0.45 2.89 4 8.2 0.9
129 0 2 4 44.052 88.104 0.451 2.88 4 5.7 0.4
130 3 1 4 44.122 88.244 0.452 2.88 8 2.6 0.2
131 3 5 1 44.323 88.646 0.454 2.86 8 44.2 51.8
132 1 2 4 44.374 88.749 0.454 2.86 8 32.9 28.7
133 6 4 1 44.533 89.067 0.455 2.85 8 11.6 3.6
134 9 1 1 44.883 89.767 0.458 2.83 8 19.2 9.6
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 2 0 0 8.625 17.25 5.13645 184.5 19.5 19.8 5.6
2 2 1 0 11.382 22.765 3.90304 469.1 49.5 50.1 5.6
3 0 1 1 11.906 23.812 3.73374 158.3 16.7 16.9 5.6
4 1 1 1 12.68 25.36 3.50915 186.8 19.7 19.9 5.6
5 2 0 1 12.734 25.469 3.49441 117.2 12.4 12.5 5.6
6 2 1 1 14.776 29.553 3.02013 54.2 5.7 5.8 5.6
7 0 2 0 14.868 29.736 3.002 134.8 14.2 14.3 5.6
8 3 0 1 16.078 32.157 2.78129 645.0 68.1 68.4 5.6
9 2 2 0 17.289 34.579 2.5918 30.4 3.2 3.2 5.7
10 3 1 1 17.772 35.543 2.52366 722.0 76.2 76.3 5.7
11 1 2 1 18.201 36.402 2.46609 947.1 100.0 100.0 5.7
12 0 0 2 18.852 37.703 2.3839 16.5 1.7 1.7 5.7
13 4 1 0 19.039 38.078 2.36127 120.6 12.7 12.7 5.7
14 1 0 2 19.372 38.744 2.32219 90.0 9.5 9.5 5.7
15 2 2 1 19.772 39.543 2.2771 337.8 35.7 35.6 5.7
16 4 0 1 19.918 39.836 2.26106 245.2 25.9 25.8 5.7
17 1 1 2 20.833 41.667 2.16584 157.3 16.6 16.5 5.7
18 3 2 1 22.182 44.363 2.04024 48.9 5.2 5.1 5.7
19 3 0 2 23.185 46.371 1.95648 24.3 2.6 2.5 5.7
20 4 2 0 23.248 46.495 1.95152 26.3 2.8 2.7 5.7
21 5 0 1 24.094 48.188 1.88684 58.8 6.2 6.1 5.7
22 0 2 2 24.369 48.737 1.86687 12.2 1.3 1.3 5.7
23 1 3 1 25.094 50.187 1.81628 42.5 4.5 4.4 5.7
24 5 1 1 25.336 50.672 1.80005 40.2 4.2 4.2 5.8
25 2 2 2 26.041 52.082 1.75457 661.5 69.8 68.7 5.8
26 4 0 2 26.159 52.318 1.74721 196.5 20.7 20.4 5.8
27 2 3 1 26.33 52.66 1.73667 40.1 4.2 4.2 5.8
28 4 1 2 27.332 54.665 1.67761 131.3 13.9 13.6 5.8
29 6 1 0 27.893 55.787 1.64651 131.9 13.9 13.6 5.8
30 3 2 2 28.03 56.061 1.6391 24.2 2.6 2.5 5.8
31 3 3 1 28.305 56.611 1.62448 181.8 19.2 18.8 5.8
32 5 2 1 28.828 57.656 1.5975 52.4 5.5 5.4 5.8
33 4 3 0 29.206 58.411 1.57862 89.5 9.4 9.2 5.8
34 1 0 3 29.37 58.739 1.57058 34.9 3.7 3.6 5.8
35 0 1 3 30.091 60.181 1.53635 12.4 1.3 1.3 5.8
36 1 1 3 30.461 60.921 1.51946 57.8 6.1 5.9 5.8
37 1 3 2 30.537 61.074 1.51601 32.6 3.4 3.3 5.8
38 4 2 2 30.67 61.341 1.51007 49.5 5.2 5.1 5.8
39 5 1 2 30.75 61.5 1.50653 49.6 5.2 5.1 5.8
40 0 4 0 30.876 61.751 1.501 275.0 29.0 28.2 5.8
41 6 2 0 31.193 62.385 1.48726 384.2 40.6 39.3 5.8
42 2 1 3 31.555 63.11 1.47192 12.6 1.3 1.3 5.9
43 2 3 2 31.63 63.26 1.46879 13.2 1.4 1.4 5.9
44 3 0 3 32.299 64.597 1.44157 46.8 4.9 4.8 5.9
45 7 0 1 33.31 66.621 1.40262 191.3 20.2 19.4 5.9
46 1 2 3 33.608 67.216 1.39163 86.7 9.2 8.8 5.9
47 2 2 3 34.649 69.297 1.35484 191.4 20.2 19.4 5.9
48 4 0 3 34.748 69.496 1.35144 61.5 6.5 6.2 5.9
49 3 4 1 35.672 71.344 1.32092 102.8 10.9 10.4 5.9
50 4 1 3 35.749 71.497 1.31845 44.9 4.7 4.5 5.9
51 4 3 2 35.819 71.639 1.3162 18.5 2.0 1.9 5.9
52 6 3 0 36.303 72.607 1.30101 48.4 5.1 4.9 6.0
53 0 4 2 37.332 74.664 1.27019 31.2 3.3 3.1 6.0
54 6 2 2 37.622 75.244 1.26183 18.2 1.9 1.8 6.0
55 1 4 2 37.665 75.331 1.26059 16.3 1.7 1.6 6.0
56 6 3 1 37.858 75.716 1.25512 14.7 1.5 1.5 6.0
57 4 4 1 38.022 76.044 1.25053 28.8 3.0 2.9 6.0
58 0 3 3 38.236 76.473 1.24458 22.0 2.3 2.2 6.0
59 4 2 3 38.687 77.374 1.23232 11.8 1.2 1.2 6.0
60 5 3 2 38.827 77.654 1.22857 29.9 3.2 3.0 6.0
61 0 0 4 40.258 80.517 1.19195 52.3 5.5 5.2 6.1
62 3 4 2 40.301 80.602 1.1909 10.1 1.1 1.0 6.1
63 8 2 0 40.725 81.45 1.18064 9.7 1.0 1.0 6.1
64 5 4 1 40.977 81.953 1.17465 26.7 2.8 2.6 6.1
65 3 3 3 41.187 82.374 1.16972 61.1 6.5 6.0 6.1
66 0 5 1 41.415 82.829 1.16444 12.8 1.4 1.3 6.1
67 5 2 3 41.629 83.259 1.15952 54.3 5.7 5.3 6.1
68 7 2 2 41.885 83.769 1.15375 27.1 2.9 2.7 6.1
69 8 2 1 42.232 84.464 1.14602 21.2 2.2 2.1 6.1
70 6 1 3 42.348 84.695 1.14348 30.3 3.2 3.0 6.1
71 6 3 2 42.415 84.83 1.14201 9.7 1.0 0.9 6.1
72 4 4 2 42.574 85.148 1.13855 61.7 6.5 6.0 6.1
73 8 0 2 42.949 85.898 1.13053 33.1 3.5 3.2 6.1
74 4 3 3 43.452 86.905 1.12 42.2 4.5 4.1 6.1
75 8 1 2 43.893 87.787 1.11101 10.6 1.1 1.0 6.2
76 3 5 1 44.323 88.646 1.10244 51.8 5.5 5.0 6.2
77 1 2 4 44.374 88.749 1.10143 28.7 3.0 2.8 6.2
78 9 1 1 44.883 89.767 1.09157 9.6 1.0 0.9 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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