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
57, t-olivine, Co-Mg-analogue
Co(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.0442
10 .11 .1997
Ref.Str.:
Muller-Sommer M., Hocd R., Kirfel A. (1997)
* Phys. Chem. Minerals, 24, 17-23
Reserv:
In original - olivine[43]. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7633 alpha = 90.0
b = 10.229 beta = 90.0
c = 5.9874 gamma = 90.0
Unit cell volume (cub. angs.) = 291.73
Molar volume ( cub.cm/mol.) = 43.93
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 Co = 0.37, Mg = 0.63
2 0.9915 0.2773 0.25 0.0 Co = 0.13, Mg = 0.87
3 0.4274 0.0943 0.25 0.0 Si = 1.00
4 0.7635 0.0924 0.25 0.0 O = 1.00
5 0.217 0.4507 0.25 0.0 O = 1.00
6 0.2816 0.1629 0.0369 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 0.2773 0.25
3 3 0.4274 0.0943 0.25
4 4 0.7635 0.0924 0.25
5 5 0.217 0.4507 0.25
6 6 0.2816 0.1629 0.0369
7 2 0.0085 0.7227 0.75
8 3 0.5726 0.9057 0.75
9 4 0.2365 0.9076 0.75
10 5 0.783 0.5493 0.75
11 6 0.7184 0.8371 0.9631
12 1 0.0 0.0 0.5
13 6 0.7184 0.8371 0.5369
14 6 0.2816 0.1629 0.4631
15 1 0.5 0.5 0.0
16 2 0.5085 0.7773 0.25
17 3 0.0726 0.5943 0.25
18 4 0.7365 0.5924 0.25
19 5 0.283 0.9507 0.25
20 6 0.2184 0.6629 0.0369
21 2 0.4915 0.2227 0.75
22 3 0.9274 0.4057 0.75
23 4 0.2635 0.4076 0.75
24 5 0.717 0.0493 0.75
25 6 0.7816 0.3371 0.9631
26 1 0.5 0.5 0.5
27 6 0.7816 0.3371 0.5369
28 6 0.2184 0.6629 0.4631
X-ray density (g/cm cub.) = 3.59
MU (1/cm) = 175.808 Mass attenuation coefficient (cm**2/g) = 48.911
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co ,Mg 2.568 6
2.0983 4
2.1505 6
2.0983 4
2.1505 6
2.0765 5
2.0765 5
2 Co ,Mg 2.568 6
2.181 4
2.0736 5
2.2151 6
2.2151 6
2.0796 6
2.0796 6
3 Si 2.1 4
1.6011 4
1.6133 6
1.6133 6
1.6219 5
4 O 3.264 12
2.8703 6
2.7234 6
3.1332 6
3.1332 6
2.8703 6
2.7234 6
2.8678 5
2.7091 5
3.0341 5
3.0341 5
3.037 6
3.037 6
5 O 3.264 10
3.2232 6
3.2232 6
2.8678 4
2.7091 4
2.5178 6
3.0341 4
3.0341 4
2.933 6
2.933 6
2.5178 6
6 O 3.264 10
2.7234 4
2.8703 4
3.2232 5
3.1332 4
2.5518 6
2.5178 5
3.037 4
2.933 5
3.0071 6
3.0071 6
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 0 2 0 10.072 20.144 0.098 62.48 2 43.9 282.3
2 1 1 0 11.955 23.91 0.116 43.73 4 9.2 17.4
3 0 2 1 13.297 26.595 0.129 34.95 4 46.7 357.7
4 1 0 1 13.884 27.768 0.134 31.9 4 28.9 125.1
5 1 1 1 14.797 29.594 0.143 27.85 8 23.5 144.1
6 1 2 0 14.869 29.738 0.143 27.56 4 25.5 84.3
7 1 2 1 17.273 34.546 0.166 19.94 8 13.9 36.0
8 0 0 2 17.384 34.769 0.167 19.66 2 33.9 53.0
9 1 3 0 18.821 37.642 0.18 16.52 4 89.4 620.3
10 0 2 2 20.255 40.51 0.194 14.03 4 31.6 66.0
11 0 4 0 20.474 40.947 0.196 13.7 2 23.2 17.3
12 1 3 1 20.826 41.651 0.199 13.19 8 64.5 515.4
13 1 1 2 21.319 42.638 0.203 12.52 8 87.3 897.0
14 2 0 0 22.059 44.118 0.21 11.59 2 34.2 31.9
15 0 4 1 22.355 44.71 0.213 11.25 4 39.2 81.1
16 2 1 0 22.682 45.363 0.216 10.89 4 34.3 60.3
17 1 2 2 23.194 46.388 0.22 10.35 8 48.4 227.5
18 1 4 0 23.39 46.781 0.222 10.15 4 58.3 162.2
19 2 1 1 24.427 48.854 0.231 9.2 8 35.9 111.4
20 2 2 0 24.474 48.949 0.232 9.16 4 16.4 11.6
21 1 4 1 25.098 50.196 0.237 8.65 8 1.8 0.3
22 1 3 2 26.086 52.171 0.246 7.92 8 33.6 84.1
23 2 2 1 26.129 52.259 0.246 7.89 8 7.2 3.8
24 2 3 0 27.265 54.53 0.256 7.17 4 21.8 16.0
25 0 4 2 27.388 54.776 0.257 7.09 4 31.8 33.6
26 1 5 0 28.414 56.828 0.266 6.52 4 45.9 64.7
27 2 0 2 28.68 57.36 0.268 6.39 4 5.6 1.0
28 0 2 3 28.756 57.513 0.269 6.35 4 5.0 0.7
29 2 3 1 28.807 57.613 0.269 6.33 8 3.0 0.5
30 1 0 3 29.073 58.146 0.272 6.2 4 9.7 2.7
31 2 1 2 29.197 58.394 0.273 6.14 8 7.9 3.6
32 1 1 3 29.586 59.172 0.276 5.96 8 24.5 33.7
33 1 4 2 29.793 59.585 0.278 5.86 8 5.3 1.5
34 1 5 1 29.916 59.833 0.279 5.81 8 23.7 30.7
35 2 2 2 30.716 61.433 0.286 5.48 8 104.6 562.9
36 2 4 0 30.878 61.756 0.287 5.41 4 83.6 177.8
37 1 2 3 31.093 62.187 0.289 5.33 8 23.9 28.6
38 0 6 0 31.645 63.291 0.293 5.13 2 9.5 1.1
39 2 4 1 32.311 64.622 0.299 4.9 8 44.2 90.1
40 0 6 1 33.06 66.12 0.305 4.67 4 64.8 92.0
41 2 3 2 33.157 66.314 0.306 4.64 8 18.8 15.4
42 1 3 3 33.519 67.038 0.309 4.53 8 54.3 125.7
43 1 6 0 33.866 67.732 0.312 4.44 4 18.1 6.8
44 1 5 2 34.185 68.37 0.314 4.35 8 40.4 66.7
45 0 4 3 34.646 69.292 0.318 4.23 4 56.7 64.0
46 3 1 0 34.757 69.513 0.319 4.2 4 46.8 43.3
47 2 5 0 35.196 70.392 0.322 4.1 4 9.5 1.7
48 1 6 1 35.235 70.47 0.323 4.09 8 4.9 0.9
49 3 0 1 35.649 71.298 0.326 4.0 4 22.4 9.4
50 3 1 1 36.11 72.22 0.329 3.9 8 27.3 27.4
51 3 2 0 36.148 72.295 0.33 3.89 4 28.8 15.2
52 2 1 3 36.244 72.489 0.33 3.87 8 24.1 21.1
53 2 4 2 36.431 72.862 0.332 3.83 8 39.5 56.2
54 2 5 1 36.543 73.085 0.333 3.81 8 28.4 28.9
55 0 0 4 36.695 73.391 0.334 3.78 2 153.7 209.7
56 1 4 3 36.778 73.556 0.335 3.76 8 14.0 6.9
57 0 6 2 37.14 74.281 0.338 3.69 4 131.1 298.4
58 3 2 1 37.48 74.961 0.34 3.63 8 14.9 7.6
59 2 2 3 37.613 75.225 0.341 3.61 8 16.5 9.2
60 3 3 0 38.421 76.841 0.347 3.48 4 48.0 37.6
61 0 2 4 38.508 77.017 0.348 3.46 4 32.0 16.6
62 1 6 2 39.22 78.44 0.353 3.36 8 8.9 2.5
63 1 1 4 39.231 78.462 0.354 3.36 8 9.2 2.7
64 3 3 1 39.727 79.455 0.357 3.29 8 42.6 56.2
65 1 7 0 39.811 79.623 0.358 3.28 4 82.0 103.5
66 2 3 3 39.857 79.714 0.358 3.27 8 6.3 1.2
67 3 1 2 40.064 80.128 0.36 3.25 8 53.1 86.2
68 2 6 0 40.183 80.365 0.361 3.23 4 1.4 0.0
69 2 5 2 40.482 80.965 0.363 3.2 8 10.1 3.1
70 1 2 4 40.566 81.133 0.364 3.19 8 7.1 1.5
71 1 5 3 40.819 81.637 0.365 3.16 8 15.4 7.0
72 1 7 1 41.106 82.213 0.368 3.13 8 12.1 4.3
73 3 2 2 41.393 82.786 0.37 3.1 8 64.0 119.4
74 2 6 1 41.475 82.95 0.37 3.09 8 17.0 8.3
75 3 4 0 41.537 83.073 0.371 3.08 4 54.4 42.8
76 1 3 4 42.772 85.545 0.38 2.97 8 60.4 102.1
77 3 4 1 42.822 85.643 0.38 2.97 8 33.5 31.3
78 2 4 3 42.95 85.9 0.381 2.96 8 21.2 12.5
79 3 3 2 43.593 87.185 0.385 2.91 8 5.2 0.8
80 0 6 3 43.632 87.263 0.386 2.91 4 51.3 36.0
81 0 4 4 43.821 87.641 0.387 2.9 4 27.2 10.1
82 0 8 0 44.391 88.782 0.391 2.86 2 26.0 4.6
83 2 0 4 44.893 89.785 0.395 2.83 4 48.0 30.7
84 1 7 2 44.954 89.909 0.395 2.83 8 7.0 1.3
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 0 2 0 10.072 20.144 5.1145 282.3 31.5 32.1 5.6
2 1 1 0 11.955 23.91 4.31808 17.4 1.9 2.0 5.6
3 0 2 1 13.297 26.595 3.88885 357.7 39.9 40.5 5.6
4 1 0 1 13.884 27.768 3.72758 125.1 13.9 14.1 5.6
5 1 1 1 14.797 29.594 3.50228 144.1 16.1 16.3 5.6
6 1 2 0 14.869 29.738 3.48571 84.3 9.4 9.5 5.6
7 1 2 1 17.273 34.546 3.0124 36.0 4.0 4.0 5.7
8 0 0 2 17.384 34.769 2.9937 53.0 5.9 6.0 5.7
9 1 3 0 18.821 37.642 2.77255 620.3 69.2 69.5 5.7
10 0 2 2 20.255 40.51 2.58364 66.0 7.4 7.4 5.7
11 0 4 0 20.474 40.947 2.55725 17.3 1.9 1.9 5.7
12 1 3 1 20.826 41.651 2.5159 515.4 57.5 57.5 5.7
13 1 1 2 21.319 42.638 2.46026 897.0 100.0 100.0 5.7
14 2 0 0 22.059 44.118 2.38165 31.9 3.6 3.6 5.7
15 0 4 1 22.355 44.71 2.35173 81.1 9.0 9.0 5.7
16 2 1 0 22.682 45.363 2.31961 60.3 6.7 6.7 5.7
17 1 2 2 23.194 46.388 2.27107 227.5 25.4 25.3 5.7
18 1 4 0 23.39 46.781 2.25308 162.2 18.1 18.0 5.7
19 2 1 1 24.427 48.854 2.16296 111.4 12.4 12.3 5.7
20 2 2 0 24.474 48.949 2.15904 11.6 1.3 1.3 5.7
21 1 3 2 26.086 52.171 2.03418 84.1 9.4 9.3 5.8
22 2 3 0 27.265 54.53 1.9525 16.0 1.8 1.8 5.8
23 0 4 2 27.388 54.776 1.94442 33.6 3.8 3.7 5.8
24 1 5 0 28.414 56.828 1.87976 64.7 7.2 7.1 5.8
25 1 1 3 29.586 59.172 1.81165 33.7 3.8 3.7 5.8
26 1 5 1 29.916 59.833 1.79345 30.7 3.4 3.3 5.8
27 2 2 2 30.716 61.433 1.75114 562.9 62.8 61.3 5.8
28 2 4 0 30.878 61.756 1.74286 177.8 19.8 19.3 5.8
29 1 2 3 31.093 62.187 1.73199 28.6 3.2 3.1 5.8
30 2 4 1 32.311 64.622 1.6734 90.1 10.0 9.8 5.9
31 0 6 1 33.06 66.12 1.63966 92.0 10.3 9.9 5.9
32 2 3 2 33.157 66.314 1.63541 15.4 1.7 1.7 5.9
33 1 3 3 33.519 67.038 1.61978 125.7 14.0 13.6 5.9
34 1 5 2 34.185 68.37 1.59195 66.7 7.4 7.2 5.9
35 0 4 3 34.646 69.292 1.57335 64.0 7.1 6.9 5.9
36 3 1 0 34.757 69.513 1.56898 43.3 4.8 4.7 5.9
37 3 0 1 35.649 71.298 1.53472 9.4 1.1 1.0 5.9
38 3 1 1 36.11 72.22 1.51773 27.4 3.1 2.9 5.9
39 3 2 0 36.148 72.295 1.51638 15.2 1.7 1.6 5.9
40 2 1 3 36.244 72.489 1.51288 21.1 2.4 2.3 5.9
41 2 4 2 36.431 72.862 1.5062 56.2 6.3 6.0 6.0
42 2 5 1 36.543 73.085 1.50223 28.9 3.2 3.1 6.0
43 0 0 4 36.695 73.391 1.49685 209.7 23.4 22.4 6.0
44 0 6 2 37.14 74.281 1.48146 298.4 33.3 31.8 6.0
45 2 2 3 37.613 75.225 1.46556 9.2 1.0 1.0 6.0
46 3 3 0 38.421 76.841 1.43936 37.6 4.2 4.0 6.0
47 0 2 4 38.508 77.017 1.43659 16.6 1.9 1.8 6.0
48 3 3 1 39.727 79.455 1.39949 56.2 6.3 5.9 6.0
49 1 7 0 39.811 79.623 1.39702 103.5 11.5 10.9 6.0
50 3 1 2 40.064 80.128 1.38969 86.2 9.6 9.1 6.0
51 3 2 2 41.393 82.786 1.35274 119.4 13.3 12.5 6.1
52 3 4 0 41.537 83.073 1.34891 42.8 4.8 4.5 6.1
53 1 3 4 42.772 85.545 1.31715 102.1 11.4 10.6 6.1
54 3 4 1 42.822 85.643 1.31593 31.3 3.5 3.2 6.1
55 2 4 3 42.95 85.9 1.31276 12.5 1.4 1.3 6.1
56 0 6 3 43.632 87.263 1.29628 36.0 4.0 3.7 6.2
57 0 4 4 43.821 87.641 1.29182 10.1 1.1 1.0 6.2
58 2 0 4 44.893 89.785 1.26733 30.7 3.4 3.1 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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