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
60, t-olivine, Co-analogue
Co(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.0504
3 .11 .1997
Ref.Str.:
Muller-Sommer M., Hocd R., Kirfel A. (1997)
* Phys. Chem. Minerals, 24, 17-23
Reserv:
In original - olivine[46].
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7825 alpha = 90.0
b = 10.304 beta = 90.0
c = 6.0041 gamma = 90.0
Unit cell volume (cub. angs.) = 295.88
Molar volume ( cub.cm/mol.) = 44.55
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 = 1.00
2 0.9919 0.2771 0.25 0.0 Co = 1.00
3 0.4279 0.0964 0.25 0.0 Si = 1.00
4 0.7578 0.0919 0.25 0.0 O = 1.00
5 0.2137 0.4516 0.25 0.0 O = 1.00
6 0.2879 0.1627 0.0332 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 0.9919 0.2771 0.25
3 3 0.4279 0.0964 0.25
4 4 0.7578 0.0919 0.25
5 5 0.2137 0.4516 0.25
6 6 0.2879 0.1627 0.0332
7 2 0.0081 0.7229 0.75
8 3 0.5721 0.9036 0.75
9 4 0.2422 0.9081 0.75
10 5 0.7863 0.5484 0.75
11 6 0.7121 0.8373 0.9668
12 1 0.0 0.0 0.5
13 6 0.7121 0.8373 0.5332
14 6 0.2879 0.1627 0.4668
15 1 0.5 0.5 0.0
16 2 0.5081 0.7771 0.25
17 3 0.0721 0.5964 0.25
18 4 0.7422 0.5919 0.25
19 5 0.2863 0.9516 0.25
20 6 0.2121 0.6627 0.0332
21 2 0.4919 0.2229 0.75
22 3 0.9279 0.4036 0.75
23 4 0.2578 0.4081 0.75
24 5 0.7137 0.0484 0.75
25 6 0.7879 0.3373 0.9668
26 1 0.5 0.5 0.5
27 6 0.7879 0.3373 0.5332
28 6 0.2121 0.6627 0.4668
X-ray density (g/cm cub.) = 4.71
MU (1/cm) = 245.989 Mass attenuation coefficient (cm**2/g) = 52.209
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co 2.568 6
2.1193 4
2.1785 6
2.1193 4
2.1785 6
2.092 5
2.092 5
2 Co 2.568 6
2.2125 4
2.0876 5
2.2556 6
2.2556 6
2.0562 6
2.0562 6
3 Si 2.1 4
1.5784 4
1.6154 6
1.6154 6
1.6385 5
4 O 3.264 12
2.9417 6
2.6976 6
3.1339 6
3.1339 6
2.9417 6
2.6976 6
2.9118 5
2.6786 5
3.0426 5
3.0426 5
3.0505 6
3.0505 6
5 O 3.264 8
2.9118 4
2.6786 4
2.5349 6
3.0426 4
3.0426 4
2.9026 6
2.9026 6
2.5349 6
6 O 3.264 9
2.6976 4
2.9417 4
3.1339 4
2.6034 6
2.5349 5
3.0505 4
2.9026 5
3.0189 6
3.0189 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 9.998 19.996 0.097 63.44 2 32.0 148.4
2 1 1 0 11.899 23.798 0.115 44.16 4 34.0 232.8
3 0 2 1 13.225 26.449 0.128 35.36 4 30.3 147.9
4 1 0 1 13.834 27.668 0.134 32.14 4 25.0 91.8
5 1 1 1 14.737 29.474 0.142 28.09 8 69.1 1225.6
6 1 2 0 14.785 29.57 0.143 27.9 4 26.4 88.6
7 1 2 1 17.187 34.374 0.165 20.15 8 16.0 46.9
8 0 0 2 17.335 34.669 0.167 19.78 2 45.7 94.5
9 1 3 0 18.701 37.401 0.179 16.75 4 146.5 1643.2
10 0 2 2 20.172 40.344 0.193 14.16 4 104.7 709.7
11 0 4 0 20.318 40.636 0.194 13.94 2 87.7 244.9
12 1 3 1 20.704 41.408 0.198 13.36 8 102.7 1288.2
13 1 1 2 21.244 42.488 0.203 12.62 8 125.6 1817.6
14 2 0 0 21.966 43.932 0.209 11.7 2 108.9 317.1
15 0 4 1 22.2 44.4 0.211 11.43 4 65.4 223.7
16 2 1 0 22.581 45.163 0.215 11.0 4 40.3 81.4
17 1 2 2 23.097 46.195 0.219 10.45 8 48.0 220.0
18 1 4 0 23.228 46.456 0.22 10.32 4 60.1 170.2
19 2 1 1 24.323 48.646 0.23 9.29 8 34.6 101.8
20 2 2 0 24.355 48.709 0.231 9.27 4 6.2 1.6
21 1 4 1 24.935 49.87 0.236 8.78 8 0.5 0.0
22 1 3 2 25.957 51.913 0.245 8.01 8 43.5 138.4
23 2 2 1 26.006 52.012 0.245 7.98 8 19.5 27.7
24 2 3 0 27.115 54.23 0.255 7.26 4 16.6 9.1
25 0 4 2 27.228 54.457 0.256 7.19 4 29.6 28.7
26 1 5 0 28.204 56.409 0.264 6.64 4 45.3 62.3
27 2 0 2 28.569 57.138 0.267 6.44 4 16.0 7.6
28 0 2 3 28.65 57.3 0.268 6.4 4 5.5 0.9
29 2 3 1 28.653 57.307 0.268 6.4 8 1.7 0.2
30 1 0 3 28.978 57.957 0.271 6.24 4 9.7 2.7
31 2 1 2 29.08 58.16 0.272 6.19 8 8.6 4.2
32 1 1 3 29.485 58.97 0.275 6.0 8 61.4 206.5
33 1 4 2 29.623 59.246 0.276 5.94 8 3.7 0.8
34 1 5 1 29.705 59.411 0.277 5.9 8 51.0 140.0
35 2 2 2 30.581 61.162 0.284 5.53 8 166.3 1398.4
36 2 4 0 30.689 61.378 0.285 5.49 4 137.4 473.4
37 1 2 3 30.974 61.948 0.288 5.38 8 24.2 28.8
38 0 6 0 31.389 62.778 0.291 5.22 2 18.2 3.9
39 2 4 1 32.119 64.237 0.297 4.97 8 64.7 190.1
40 0 6 1 32.801 65.603 0.303 4.75 4 97.5 206.0
41 2 3 2 32.992 65.985 0.304 4.69 8 13.7 8.0
42 1 3 3 33.37 66.739 0.307 4.58 8 85.4 304.6
43 1 6 0 33.601 67.202 0.309 4.51 4 18.2 6.8
44 1 5 2 33.966 67.931 0.312 4.41 8 90.7 331.4
45 0 4 3 34.469 68.938 0.316 4.28 4 76.2 113.4
46 3 1 0 34.594 69.188 0.317 4.24 4 69.6 93.9
47 2 5 0 34.958 69.916 0.32 4.15 4 11.9 2.7
48 1 6 1 34.967 69.934 0.32 4.15 8 6.3 1.5
49 3 0 1 35.487 70.975 0.325 4.03 4 19.3 6.9
50 3 1 1 35.943 71.886 0.328 3.93 8 61.2 134.5
51 3 2 0 35.968 71.935 0.328 3.93 4 32.5 18.9
52 2 1 3 36.103 72.205 0.329 3.9 8 22.6 18.2
53 2 4 2 36.227 72.453 0.33 3.87 8 38.6 52.8
54 2 5 1 36.301 72.602 0.331 3.86 8 29.8 31.3
55 0 0 4 36.577 73.154 0.333 3.8 2 214.0 397.6
56 1 4 3 36.588 73.177 0.333 3.8 8 11.6 4.7
57 0 6 2 36.873 73.746 0.335 3.74 4 172.6 509.5
58 3 2 1 37.296 74.591 0.339 3.67 8 18.8 11.9
59 2 2 3 37.453 74.906 0.34 3.64 8 3.8 0.5
60 3 3 0 38.212 76.424 0.346 3.51 4 85.4 117.1
61 0 2 4 38.365 76.731 0.347 3.49 4 23.2 8.6
62 1 6 2 38.941 77.881 0.351 3.4 8 8.6 2.3
63 1 1 4 39.092 78.184 0.352 3.38 8 26.0 20.9
64 1 7 0 39.478 78.956 0.355 3.32 4 132.8 267.7
65 3 3 1 39.514 79.027 0.356 3.32 8 69.9 148.0
66 2 3 3 39.668 79.336 0.357 3.3 8 8.1 2.0
67 3 1 2 39.881 79.761 0.358 3.27 8 81.4 198.1
68 2 6 0 39.885 79.769 0.358 3.27 4 6.0 0.5
69 2 5 2 40.227 80.454 0.361 3.23 8 11.7 4.1
70 1 2 4 40.409 80.818 0.362 3.2 8 9.3 2.6
71 1 5 3 40.577 81.154 0.364 3.19 8 38.1 42.3
72 1 7 1 40.768 81.537 0.365 3.16 8 2.0 0.1
73 2 6 1 41.172 82.344 0.368 3.12 8 45.4 58.6
74 3 2 2 41.192 82.384 0.368 3.12 8 64.7 119.3
75 3 4 0 41.287 82.575 0.369 3.11 4 48.7 33.7
76 3 4 1 42.566 85.133 0.378 2.99 8 38.7 40.9
77 1 3 4 42.585 85.169 0.378 2.99 8 99.8 271.7
78 2 4 3 42.719 85.437 0.379 2.98 8 40.9 45.4
79 0 6 3 43.339 86.677 0.384 2.93 4 79.6 84.8
80 3 3 2 43.361 86.722 0.384 2.93 8 9.6 2.4
81 0 4 4 43.605 87.21 0.386 2.91 4 71.3 67.5
82 0 8 0 43.984 87.968 0.388 2.89 2 57.9 22.1
83 1 7 2 44.598 89.197 0.392 2.85 8 12.1 3.8
84 2 0 4 44.714 89.429 0.393 2.84 4 98.8 126.7
85 2 6 2 44.998 89.996 0.395 2.83 8 72.0 133.9
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 9.998 19.996 5.152 148.4 8.2 8.3 5.6
2 1 1 0 11.899 23.798 4.33801 232.8 12.8 13.0 5.6
3 0 2 1 13.225 26.449 3.90988 147.9 8.1 8.3 5.6
4 1 0 1 13.834 27.668 3.74081 91.8 5.0 5.1 5.6
5 1 1 1 14.737 29.474 3.51626 1225.6 67.4 68.3 5.6
6 1 2 0 14.785 29.57 3.50509 88.6 4.9 4.9 5.6
7 1 2 1 17.187 34.374 3.02703 46.9 2.6 2.6 5.7
8 0 0 2 17.335 34.669 3.00205 94.5 5.2 5.2 5.7
9 1 3 0 18.701 37.401 2.78976 1643.2 90.4 90.9 5.7
10 0 2 2 20.172 40.344 2.59383 709.7 39.0 39.1 5.7
11 0 4 0 20.318 40.636 2.576 244.9 13.5 13.5 5.7
12 1 3 1 20.704 41.408 2.52999 1288.2 70.9 71.0 5.7
13 1 1 2 21.244 42.488 2.46858 1817.6 100.0 100.0 5.7
14 2 0 0 21.966 43.932 2.39125 317.1 17.4 17.4 5.7
15 0 4 1 22.2 44.4 2.36732 223.7 12.3 12.3 5.7
16 2 1 0 22.581 45.163 2.32935 81.4 4.5 4.5 5.7
17 1 2 2 23.097 46.195 2.28007 220.0 12.1 12.1 5.7
18 1 4 0 23.228 46.456 2.26793 170.2 9.4 9.3 5.7
19 2 1 1 24.323 48.646 2.17164 101.8 5.6 5.6 5.7
20 1 3 2 25.957 51.913 2.04359 138.4 7.6 7.5 5.8
21 2 2 1 26.006 52.012 2.03997 27.7 1.5 1.5 5.8
22 0 4 2 27.228 54.457 1.95494 28.7 1.6 1.6 5.8
23 1 5 0 28.204 56.409 1.89257 62.3 3.4 3.4 5.8
24 1 1 3 29.485 58.97 1.81729 206.5 11.4 11.1 5.8
25 1 5 1 29.705 59.411 1.80502 140.0 7.7 7.5 5.8
26 2 2 2 30.581 61.162 1.75813 1398.4 76.9 75.1 5.8
27 2 4 0 30.689 61.378 1.75255 473.4 26.0 25.4 5.8
28 1 2 3 30.974 61.948 1.738 28.8 1.6 1.5 5.8
29 2 4 1 32.119 64.237 1.68234 190.1 10.5 10.2 5.9
30 0 6 1 32.801 65.603 1.65112 206.0 11.3 11.0 5.9
31 1 3 3 33.37 66.739 1.62618 304.6 16.8 16.2 5.9
32 1 5 2 33.966 67.931 1.60098 331.4 18.2 17.6 5.9
33 0 4 3 34.469 68.938 1.58043 113.4 6.2 6.0 5.9
34 3 1 0 34.594 69.188 1.57542 93.9 5.2 5.0 5.9
35 3 1 1 35.943 71.886 1.52384 153.4 8.4 8.1 5.9
36 2 1 3 36.103 72.205 1.51801 18.2 1.0 1.0 5.9
37 2 4 2 36.227 72.453 1.51352 52.8 2.9 2.8 5.9
38 2 5 1 36.301 72.602 1.51084 31.3 1.7 1.6 6.0
39 0 0 4 36.577 73.154 1.50102 402.3 22.1 21.2 6.0
40 0 6 2 36.873 73.746 1.49066 509.5 28.0 26.8 6.0
41 3 3 0 38.212 76.424 1.446 117.1 6.4 6.1 6.0
42 1 1 4 39.092 78.184 1.41851 20.9 1.1 1.1 6.0
43 1 7 0 39.478 78.956 1.40687 267.7 14.7 13.9 6.0
44 3 3 1 39.514 79.027 1.40581 148.0 8.1 7.7 6.0
45 3 1 2 39.881 79.761 1.395 198.6 10.9 10.3 6.0
46 1 5 3 40.577 81.154 1.3751 42.3 2.3 2.2 6.1
47 3 2 2 41.192 82.384 1.35816 177.9 9.8 9.2 6.1
48 3 4 0 41.287 82.575 1.35558 33.7 1.9 1.7 6.1
49 1 3 4 42.585 85.169 1.32184 312.7 17.2 16.0 6.1
50 2 4 3 42.719 85.437 1.31848 45.4 2.5 2.3 6.1
51 0 6 3 43.339 86.677 1.30329 87.3 4.8 4.5 6.1
52 0 4 4 43.605 87.21 1.29691 67.5 3.7 3.4 6.2
53 0 8 0 43.984 87.968 1.288 22.1 1.2 1.1 6.2
54 2 0 4 44.714 89.429 1.27131 126.7 7.0 6.4 6.2
55 2 6 2 44.998 89.996 1.265 133.9 7.4 6.8 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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