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
54, t-olivine, Co-Mg-analogue
Co(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.0516
4 .11 .1997
Ref.Str.:
Muller-Sommer M., Hocd R., Kirfel A. (1997)
* Phys. Chem. Minerals, 24, 17-23
Reserv:
In original - olivine[40]. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7773 alpha = 90.0
b = 10.28 beta = 90.0
c = 5.9971 gamma = 90.0
Unit cell volume (cub. angs.) = 294.52
Molar volume ( cub.cm/mol.) = 44.35
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 = 0.89, Mg = 0.11
2 0.9908 0.277 0.25 0.0 Co = 0.61, Mg = 0.39
3 0.4279 0.0945 0.25 0.0 Si = 1.00
4 0.7603 0.0929 0.25 0.0 O = 1.00
5 0.2124 0.4506 0.25 0.0 O = 1.00
6 0.2834 0.1635 0.0377 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 0.9908 0.277 0.25
3 3 0.4279 0.0945 0.25
4 4 0.7603 0.0929 0.25
5 5 0.2124 0.4506 0.25
6 6 0.2834 0.1635 0.0377
7 2 0.0092 0.723 0.75
8 3 0.5721 0.9055 0.75
9 4 0.2397 0.9071 0.75
10 5 0.7876 0.5494 0.75
11 6 0.7166 0.8365 0.9623
12 1 0.0 0.0 0.5
13 6 0.7166 0.8365 0.5377
14 6 0.2834 0.1635 0.4623
15 1 0.5 0.5 0.0
16 2 0.5092 0.777 0.25
17 3 0.0721 0.5945 0.25
18 4 0.7397 0.5929 0.25
19 5 0.2876 0.9506 0.25
20 6 0.2166 0.6635 0.0377
21 2 0.4908 0.223 0.75
22 3 0.9279 0.4055 0.75
23 4 0.2603 0.4071 0.75
24 5 0.7124 0.0494 0.75
25 6 0.7834 0.3365 0.9623
26 1 0.5 0.5 0.5
27 6 0.7834 0.3365 0.5377
28 6 0.2166 0.6635 0.4623
X-ray density (g/cm cub.) = 4.34
MU (1/cm) = 222.832 Mass attenuation coefficient (cm**2/g) = 51.309
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co ,Mg 2.568 6
2.1145 4
2.1701 6
2.1145 4
2.1701 6
2.0961 5
2.0961 5
2 Co ,Mg 2.568 6
2.1896 4
2.075 5
2.2218 6
2.2218 6
2.0815 6
2.0815 6
3 Si 2.1 4
1.5881 4
1.6127 6
1.6127 6
1.6241 5
4 O 3.264 12
2.897 6
2.7089 6
3.1572 6
3.1572 6
2.897 6
2.7089 6
2.913 5
2.6906 5
3.0403 5
3.0403 5
3.043 6
3.043 6
5 O 3.264 10
3.2321 6
3.2321 6
2.913 4
2.6906 4
2.5321 6
3.0403 4
3.0403 4
2.9245 6
2.9245 6
2.5321 6
6 O 3.264 10
2.7089 4
2.897 4
3.2321 5
3.1572 4
2.5464 6
2.5321 5
3.043 4
2.9245 5
3.0121 6
3.0121 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 10.022 20.043 0.097 63.13 2 46.5 314.7
2 1 1 0 11.915 23.83 0.115 44.04 4 32.2 209.9
3 0 2 1 13.249 26.499 0.128 35.22 4 38.2 237.4
4 1 0 1 13.85 27.699 0.134 32.06 4 27.1 108.3
5 1 1 1 14.756 29.512 0.142 28.01 8 49.1 622.4
6 1 2 0 14.81 29.62 0.143 27.79 4 25.7 84.6
7 1 2 1 17.214 34.428 0.165 20.09 8 15.2 42.7
8 0 0 2 17.355 34.711 0.167 19.73 2 32.5 48.0
9 1 3 0 18.738 37.475 0.18 16.68 4 128.2 1263.9
10 0 2 2 20.203 40.406 0.193 14.11 4 80.5 422.0
11 0 4 0 20.367 40.735 0.195 13.86 2 68.2 148.6
12 1 3 1 20.743 41.485 0.198 13.31 8 85.6 899.6
13 1 1 2 21.271 42.542 0.203 12.58 8 117.6 1603.6
14 2 0 0 21.991 43.982 0.209 11.67 2 83.7 188.7
15 0 4 1 22.25 44.5 0.212 11.37 4 53.1 148.0
16 2 1 0 22.609 45.218 0.215 10.97 4 37.3 70.5
17 1 2 2 23.131 46.262 0.22 10.41 8 47.7 218.5
18 1 4 0 23.279 46.557 0.221 10.27 4 59.6 167.9
19 2 1 1 24.353 48.706 0.231 9.27 8 35.8 109.3
20 2 2 0 24.389 48.777 0.231 9.24 4 19.9 16.8
21 1 4 1 24.987 49.974 0.236 8.74 8 0.8 0.0
22 1 3 2 26.0 52.001 0.245 7.98 8 47.1 163.4
23 2 2 1 26.042 52.084 0.245 7.95 8 14.7 15.7
24 2 3 0 27.159 54.318 0.255 7.23 4 17.5 10.2
25 0 4 2 27.283 54.565 0.256 7.16 4 38.7 49.3
26 1 5 0 28.27 56.54 0.265 6.6 4 53.1 85.8
27 2 0 2 28.604 57.208 0.268 6.43 4 4.2 0.5
28 0 2 3 28.692 57.383 0.268 6.38 4 2.2 0.1
29 2 3 1 28.699 57.399 0.268 6.38 8 1.4 0.1
30 1 0 3 29.015 58.03 0.271 6.22 4 11.7 3.9
31 2 1 2 29.117 58.234 0.272 6.17 8 9.3 4.9
32 1 1 3 29.524 59.047 0.275 5.98 8 45.3 113.5
33 1 4 2 29.679 59.359 0.277 5.91 8 4.6 1.2
34 1 5 1 29.772 59.545 0.278 5.87 8 38.4 80.0
35 2 2 2 30.624 61.247 0.285 5.51 8 145.4 1075.0
36 2 4 0 30.746 61.491 0.286 5.47 4 121.2 370.4
37 1 2 3 31.018 62.037 0.288 5.36 8 25.4 31.9
38 0 6 0 31.47 62.941 0.292 5.19 2 20.4 5.0
39 2 4 1 32.177 64.354 0.298 4.95 8 56.4 145.3
40 0 6 1 32.884 65.769 0.304 4.72 4 82.0 146.2
41 2 3 2 33.044 66.089 0.305 4.67 8 15.2 9.9
42 1 3 3 33.423 66.846 0.308 4.56 8 71.6 215.5
43 1 6 0 33.684 67.369 0.31 4.49 4 16.0 5.3
44 1 5 2 34.038 68.075 0.313 4.39 8 74.9 227.2
45 0 4 3 34.532 69.064 0.317 4.26 4 68.9 93.3
46 3 1 0 34.638 69.276 0.318 4.23 4 66.2 85.5
47 2 5 0 35.03 70.061 0.321 4.14 4 9.5 1.7
48 1 6 1 35.052 70.104 0.321 4.13 8 5.8 1.3
49 3 0 1 35.532 71.064 0.325 4.02 4 19.7 7.2
50 3 1 1 35.989 71.979 0.328 3.92 8 45.9 76.1
51 3 2 0 36.018 72.035 0.329 3.92 4 30.4 16.7
52 2 1 3 36.151 72.302 0.33 3.89 8 23.6 19.9
53 2 4 2 36.291 72.583 0.331 3.86 8 44.2 69.6
54 2 5 1 36.375 72.751 0.332 3.84 8 29.5 30.9
55 0 0 4 36.626 73.253 0.333 3.79 2 192.0 322.2
56 1 4 3 36.654 73.309 0.334 3.79 8 13.1 6.0
57 0 6 2 36.961 73.922 0.336 3.73 4 161.2 446.6
58 3 2 1 37.348 74.696 0.339 3.66 8 18.9 12.1
59 2 2 3 37.507 75.015 0.34 3.63 8 10.5 3.7
60 3 3 0 38.271 76.542 0.346 3.5 4 75.8 92.7
61 0 2 4 38.423 76.845 0.347 3.48 4 34.1 18.6
62 1 6 2 39.031 78.063 0.352 3.38 8 8.2 2.1
63 1 1 4 39.147 78.294 0.353 3.37 8 24.7 19.0
64 3 3 1 39.575 79.15 0.356 3.31 8 58.4 104.1
65 1 7 0 39.583 79.166 0.356 3.31 4 117.8 211.8
66 2 3 3 39.732 79.463 0.357 3.29 8 8.4 2.1
67 3 1 2 39.935 79.869 0.359 3.26 8 74.0 164.9
68 2 6 0 39.976 79.952 0.359 3.26 4 8.0 1.0
69 2 5 2 40.308 80.616 0.362 3.22 8 11.0 3.6
70 1 2 4 40.47 80.94 0.363 3.2 8 6.9 1.4
71 1 5 3 40.659 81.319 0.364 3.18 8 27.5 22.2
72 1 7 1 40.876 81.751 0.366 3.15 8 5.7 0.9
73 3 2 2 41.252 82.503 0.369 3.11 8 64.5 119.5
74 2 6 1 41.266 82.532 0.369 3.11 8 31.9 29.2
75 3 4 0 41.359 82.719 0.369 3.1 4 51.4 37.8
76 3 4 1 42.641 85.282 0.379 2.98 8 36.3 36.3
77 1 3 4 42.655 85.31 0.379 2.98 8 87.0 208.2
78 2 4 3 42.795 85.591 0.38 2.97 8 31.3 26.8
79 3 3 2 43.43 86.861 0.384 2.92 8 14.3 5.5
80 0 6 3 43.438 86.876 0.384 2.92 4 66.5 59.6
81 0 4 4 43.685 87.37 0.386 2.9 4 58.8 46.3
82 0 8 0 44.113 88.226 0.389 2.88 2 47.9 15.2
83 1 7 2 44.714 89.427 0.393 2.84 8 4.8 0.6
84 2 0 4 44.779 89.559 0.394 2.84 4 83.2 90.7
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 10.022 20.043 5.14 314.7 19.6 20.0 5.6
2 1 1 0 11.915 23.83 4.33234 209.9 13.1 13.3 5.6
3 0 2 1 13.249 26.499 3.9027 237.4 14.8 15.0 5.6
4 1 0 1 13.85 27.699 3.73663 108.3 6.8 6.8 5.6
5 1 1 1 14.756 29.512 3.51183 622.4 38.8 39.3 5.6
6 1 2 0 14.81 29.62 3.49927 84.6 5.3 5.3 5.6
7 1 2 1 17.214 34.428 3.02238 42.7 2.7 2.7 5.7
8 0 0 2 17.355 34.711 2.99855 48.0 3.0 3.0 5.7
9 1 3 0 18.738 37.475 2.78444 1263.9 78.8 79.2 5.7
10 0 2 2 20.203 40.406 2.59004 422.0 26.3 26.4 5.7
11 0 4 0 20.367 40.735 2.57 148.6 9.3 9.3 5.7
12 1 3 1 20.743 41.485 2.5255 899.6 56.1 56.2 5.7
13 1 1 2 21.271 42.542 2.46559 1603.6 100.0 100.0 5.7
14 2 0 0 21.991 43.982 2.38865 188.7 11.8 11.8 5.7
15 0 4 1 22.25 44.5 2.36223 148.0 9.2 9.2 5.7
16 2 1 0 22.609 45.218 2.32667 70.5 4.4 4.4 5.7
17 1 2 2 23.131 46.262 2.27693 218.5 13.6 13.6 5.7
18 1 4 0 23.279 46.557 2.26328 167.9 10.5 10.4 5.7
19 2 1 1 24.353 48.706 2.16914 109.3 6.8 6.8 5.7
20 2 2 0 24.389 48.777 2.16617 16.8 1.0 1.0 5.7
21 1 3 2 26.0 52.001 2.0404 163.4 10.2 10.1 5.8
22 0 4 2 27.283 54.565 1.95135 49.3 3.1 3.0 5.8
23 1 5 0 28.27 56.54 1.88853 85.8 5.4 5.3 5.8
24 1 1 3 29.524 59.047 1.81512 113.5 7.1 6.9 5.8
25 1 5 1 29.772 59.545 1.80133 80.0 5.0 4.9 5.8
26 2 2 2 30.624 61.247 1.75592 1075.0 67.0 65.5 5.8
27 2 4 0 30.746 61.491 1.74963 370.4 23.1 22.6 5.8
28 1 2 3 31.018 62.037 1.73576 31.9 2.0 1.9 5.8
29 2 4 1 32.177 64.354 1.67961 145.3 9.1 8.8 5.9
30 0 6 1 32.884 65.769 1.64742 146.2 9.1 8.8 5.9
31 1 3 3 33.423 66.846 1.62388 215.5 13.4 13.0 5.9
32 1 5 2 34.038 68.075 1.598 227.2 14.2 13.7 5.9
33 0 4 3 34.532 69.064 1.5779 93.3 5.8 5.6 5.9
34 3 1 0 34.638 69.276 1.57366 85.5 5.3 5.1 5.9
35 3 1 1 35.989 71.979 1.52213 92.8 5.8 5.6 5.9
36 2 1 3 36.151 72.302 1.51625 19.9 1.2 1.2 5.9
37 2 4 2 36.291 72.583 1.51119 69.6 4.3 4.2 6.0
38 2 5 1 36.375 72.751 1.50818 30.9 1.9 1.8 6.0
39 0 0 4 36.626 73.253 1.49927 328.2 20.5 19.6 6.0
40 0 6 2 36.961 73.922 1.48762 446.6 27.8 26.6 6.0
41 3 3 0 38.271 76.542 1.44411 92.7 5.8 5.5 6.0
42 0 2 4 38.423 76.845 1.4393 18.6 1.2 1.1 6.0
43 1 1 4 39.147 78.294 1.41683 19.0 1.2 1.1 6.0
44 1 7 0 39.583 79.166 1.40374 315.9 19.7 18.6 6.0
45 3 1 2 39.935 79.869 1.39343 164.9 10.3 9.7 6.0
46 1 5 3 40.659 81.319 1.3728 22.2 1.4 1.3 6.1
47 3 2 2 41.252 82.503 1.35654 148.7 9.3 8.7 6.1
48 3 4 0 41.359 82.719 1.35364 37.8 2.4 2.2 6.1
49 1 3 4 42.655 85.31 1.32008 244.5 15.2 14.2 6.1
50 2 4 3 42.795 85.591 1.31658 26.8 1.7 1.6 6.1
51 0 6 3 43.438 86.876 1.3009 65.1 4.1 3.8 6.1
52 0 4 4 43.685 87.37 1.29502 46.3 2.9 2.7 6.2
53 2 0 4 44.779 89.559 1.26986 90.7 5.7 5.2 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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