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
25, alpha, t-olivine, Co-analogue
Co(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.035 NR =501
21 .8 .1990
Ref.Str.:
Morimoto N., Tokonami M., Watanabe M., Koto K. (1974)
* Amer. Mineral., 59, 475-485
Reserv:
In original - olivine[8].
See U(jj) in the original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.782 alpha = 90.0
b = 10.302 beta = 90.0
c = 6.003 gamma = 90.0
Unit cell volume (cub. angs.) = 295.73
Molar volume ( cub.cm/mol.) = 44.53
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 0.49 Co = 1.00
2 0.9917 0.2765 0.25 0.51 Co = 1.00
3 0.4292 0.0951 0.25 0.42 Si = 1.00
4 0.7662 0.0924 0.25 0.7 O = 1.00
5 0.2121 0.4504 0.25 0.69 O = 1.00
6 0.2835 0.1639 0.0349 0.66 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 0.9917 0.2765 0.25
3 3 0.4292 0.0951 0.25
4 4 0.7662 0.0924 0.25
5 5 0.2121 0.4504 0.25
6 6 0.2835 0.1639 0.0349
7 2 0.0083 0.7235 0.75
8 3 0.5708 0.9049 0.75
9 4 0.2338 0.9076 0.75
10 5 0.7879 0.5496 0.75
11 6 0.7165 0.8361 0.9651
12 1 0.0 0.0 0.5
13 6 0.7165 0.8361 0.5349
14 6 0.2835 0.1639 0.4651
15 1 0.5 0.5 0.0
16 2 0.5083 0.7765 0.25
17 3 0.0708 0.5951 0.25
18 4 0.7338 0.5924 0.25
19 5 0.2879 0.9504 0.25
20 6 0.2165 0.6639 0.0349
21 2 0.4917 0.2235 0.75
22 3 0.9292 0.4049 0.75
23 4 0.2662 0.4076 0.75
24 5 0.7121 0.0496 0.75
25 6 0.7835 0.3361 0.9651
26 1 0.5 0.5 0.5
27 6 0.7835 0.3361 0.5349
28 6 0.2165 0.6639 0.4651
X-ray density (g/cm cub.) = 4.71
MU (1/cm) = 246.108 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
2.0996 4
2.1755 6
2.0996 4
2.1755 6
2.0997 5
2.0997 5
2 Co 2.568 6
2.1817 4
2.0785 5
2.2271 6
2.2271 6
2.072 6
2.072 6
3 Si 2.1 4
1.6118 4
1.6295 6
1.6295 6
1.6367 5
4 O 3.264 12
2.886 6
2.7455 6
3.1549 6
3.1549 6
2.886 6
2.7455 6
2.892 5
2.715 5
3.0447 5
3.0447 5
3.0389 6
3.0389 6
5 O 3.264 10
3.2397 6
3.2397 6
2.892 4
2.715 4
2.5506 6
3.0447 4
3.0447 4
2.9176 6
2.9176 6
2.5506 6
6 O 3.264 10
2.7455 4
2.886 4
3.2397 5
3.1549 4
2.5825 6
2.5506 5
3.0389 4
2.9176 5
3.0066 6
3.0066 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 10.0 20.0 0.097 63.41 2 31.2 140.8
2 1 1 0 11.901 23.801 0.115 44.15 4 35.6 256.0
3 0 2 1 13.227 26.454 0.128 35.35 4 30.6 151.1
4 1 0 1 13.836 27.672 0.134 32.13 4 25.0 91.8
5 1 1 1 14.739 29.478 0.142 28.08 8 69.6 1243.9
6 1 2 0 14.787 29.574 0.143 27.89 4 25.4 82.3
7 1 2 1 17.19 34.379 0.165 20.15 8 15.5 44.5
8 0 0 2 17.338 34.676 0.167 19.77 2 45.5 93.6
9 1 3 0 18.704 37.407 0.179 16.74 4 141.0 1522.6
10 0 2 2 20.176 40.352 0.193 14.16 4 102.6 682.1
11 0 4 0 20.322 40.644 0.194 13.93 2 88.1 247.2
12 1 3 1 20.708 41.415 0.198 13.36 8 100.2 1225.9
13 1 1 2 21.247 42.495 0.203 12.61 8 123.0 1744.7
14 2 0 0 21.968 43.937 0.209 11.7 2 107.2 307.5
15 0 4 1 22.204 44.409 0.211 11.42 4 63.2 208.6
16 2 1 0 22.584 45.168 0.215 10.99 4 38.4 74.1
17 1 2 2 23.101 46.203 0.219 10.44 8 46.4 206.0
18 1 4 0 23.232 46.465 0.221 10.31 4 58.7 162.3
19 2 1 1 24.326 48.652 0.23 9.29 8 35.4 106.6
20 2 2 0 24.358 48.715 0.231 9.26 4 8.0 2.7
21 1 4 1 24.94 49.88 0.236 8.78 8 0.2 0.0
22 1 3 2 25.961 51.923 0.245 8.01 8 42.8 134.2
23 2 2 1 26.01 52.019 0.245 7.98 8 17.9 23.4
24 2 3 0 27.119 54.238 0.255 7.25 4 16.8 9.4
25 0 4 2 27.234 54.468 0.256 7.18 4 29.2 28.0
26 1 5 0 28.21 56.42 0.264 6.63 4 44.3 59.6
27 2 0 2 28.573 57.146 0.267 6.44 4 16.9 8.4
28 0 2 3 28.656 57.312 0.268 6.4 4 5.5 0.9
29 2 3 1 28.658 57.316 0.268 6.4 8 1.1 0.1
30 1 0 3 28.984 57.968 0.271 6.24 4 10.3 3.0
31 2 1 2 29.084 58.169 0.272 6.19 8 10.6 6.3
32 1 1 3 29.491 58.981 0.275 6.0 8 59.3 193.0
33 1 4 2 29.629 59.257 0.276 5.94 8 4.4 1.1
34 1 5 1 29.711 59.422 0.277 5.9 8 48.9 129.1
35 2 2 2 30.586 61.172 0.284 5.53 8 159.0 1279.5
36 2 4 0 30.694 61.388 0.285 5.49 4 132.4 440.0
37 1 2 3 30.98 61.96 0.288 5.38 8 23.9 28.1
38 0 6 0 31.396 62.791 0.291 5.22 2 14.7 2.6
39 2 4 1 32.124 64.248 0.297 4.96 8 62.6 178.1
40 0 6 1 32.809 65.617 0.303 4.74 4 90.4 177.4
41 2 3 2 32.998 65.996 0.304 4.69 8 14.6 9.1
42 1 3 3 33.376 66.752 0.308 4.57 8 81.4 277.3
43 1 6 0 33.608 67.216 0.309 4.51 4 14.7 4.5
44 1 5 2 33.973 67.945 0.312 4.41 8 86.1 299.1
45 0 4 3 34.476 68.952 0.316 4.27 4 73.0 104.2
46 3 1 0 34.598 69.197 0.317 4.24 4 62.9 76.7
47 2 5 0 34.964 69.929 0.32 4.15 4 8.3 1.3
48 1 6 1 34.974 69.949 0.32 4.15 8 5.2 1.0
49 3 0 1 35.492 70.984 0.325 4.03 4 17.4 5.6
50 3 1 1 35.947 71.895 0.328 3.93 8 56.0 112.9
51 3 2 0 35.972 71.945 0.328 3.93 4 29.0 15.1
52 2 1 3 36.109 72.218 0.329 3.9 8 23.1 19.0
53 2 4 2 36.233 72.466 0.33 3.87 8 35.3 44.1
54 2 5 1 36.308 72.615 0.331 3.86 8 29.6 30.9
55 0 0 4 36.585 73.169 0.333 3.8 2 200.9 350.5
56 1 4 3 36.596 73.192 0.333 3.8 8 10.6 3.9
57 0 6 2 36.881 73.762 0.335 3.74 4 164.8 465.1
58 3 2 1 37.301 74.602 0.339 3.66 8 18.9 11.9
59 2 2 3 37.46 74.92 0.34 3.64 8 5.4 1.0
60 3 3 0 38.217 76.435 0.346 3.51 4 82.2 108.4
61 0 2 4 38.374 76.748 0.347 3.48 4 22.2 7.8
62 1 6 2 38.949 77.898 0.351 3.4 8 8.0 2.0
63 1 1 4 39.1 78.2 0.353 3.38 8 25.2 19.6
64 1 7 0 39.487 78.973 0.355 3.32 4 126.0 241.3
65 3 3 1 39.519 79.039 0.356 3.32 8 68.7 143.3
66 2 3 3 39.676 79.351 0.357 3.3 8 7.3 1.6
67 3 1 2 39.886 79.773 0.358 3.27 8 77.2 178.4
68 2 6 0 39.893 79.785 0.359 3.27 4 3.3 0.2
69 2 5 2 40.235 80.469 0.361 3.23 8 10.8 3.4
70 1 2 4 40.418 80.836 0.362 3.2 8 7.9 1.8
71 1 5 3 40.586 81.172 0.364 3.18 8 35.9 37.6
72 1 7 1 40.777 81.555 0.365 3.16 8 0.4 0.0
73 2 6 1 41.18 82.361 0.368 3.12 8 41.7 49.7
74 3 2 2 41.198 82.396 0.368 3.12 8 60.0 102.7
75 3 4 0 41.294 82.588 0.369 3.11 4 46.3 30.4
76 3 4 1 42.573 85.147 0.378 2.99 8 34.9 33.2
77 1 3 4 42.594 85.188 0.378 2.99 8 91.1 226.7
78 2 4 3 42.727 85.455 0.379 2.98 8 37.6 38.5
79 0 6 3 43.349 86.698 0.384 2.93 4 72.4 70.2
80 3 3 2 43.368 86.736 0.384 2.93 8 11.1 3.3
81 0 4 4 43.615 87.23 0.386 2.91 4 67.7 61.1
82 0 8 0 43.995 87.989 0.388 2.88 2 52.7 18.3
83 1 7 2 44.609 89.218 0.393 2.85 8 11.1 3.2
84 2 0 4 44.723 89.447 0.393 2.84 4 93.5 113.6
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 10.0 20.0 5.151 140.8 8.1 8.2 5.6
2 1 1 0 11.901 23.801 4.33749 256.0 14.7 14.9 5.6
3 0 2 1 13.227 26.454 3.90914 151.1 8.7 8.8 5.6
4 1 0 1 13.836 27.672 3.74031 91.8 5.3 5.3 5.6
5 1 1 1 14.739 29.478 3.51576 1243.9 71.3 72.2 5.6
6 1 2 0 14.787 29.574 3.50458 82.3 4.7 4.8 5.6
7 1 2 1 17.19 34.379 3.02656 44.5 2.6 2.6 5.7
8 0 0 2 17.338 34.676 3.0015 93.6 5.4 5.4 5.7
9 1 3 0 18.704 37.407 2.78931 1522.6 87.3 87.7 5.7
10 0 2 2 20.176 40.352 2.59334 682.1 39.1 39.2 5.7
11 0 4 0 20.322 40.644 2.5755 247.2 14.2 14.2 5.7
12 1 3 1 20.708 41.415 2.52957 1225.9 70.3 70.3 5.7
13 1 1 2 21.247 42.495 2.46818 1744.7 100.0 100.0 5.7
14 2 0 0 21.968 43.937 2.391 307.5 17.6 17.6 5.7
15 0 4 1 22.204 44.409 2.36686 208.6 12.0 11.9 5.7
16 2 1 0 22.584 45.168 2.32909 74.1 4.2 4.2 5.7
17 1 2 2 23.101 46.203 2.27969 206.0 11.8 11.8 5.7
18 1 4 0 23.232 46.465 2.26754 162.3 9.3 9.3 5.7
19 2 1 1 24.326 48.652 2.17139 106.6 6.1 6.1 5.7
20 1 3 2 25.961 51.923 2.04324 134.2 7.7 7.6 5.8
21 2 2 1 26.01 52.019 2.03971 23.4 1.3 1.3 5.8
22 0 4 2 27.234 54.468 1.95457 28.0 1.6 1.6 5.8
23 1 5 0 28.21 56.42 1.89223 59.6 3.4 3.4 5.8
24 1 1 3 29.491 58.981 1.81697 193.0 11.1 10.8 5.8
25 1 5 1 29.711 59.422 1.8047 129.1 7.4 7.2 5.8
26 2 2 2 30.586 61.172 1.75788 1279.5 73.3 71.6 5.8
27 2 4 0 30.694 61.388 1.75229 440.0 25.2 24.6 5.8
28 1 2 3 30.98 61.96 1.7377 28.1 1.6 1.6 5.8
29 2 4 1 32.124 64.248 1.68209 178.1 10.2 9.9 5.9
30 0 6 1 32.809 65.617 1.6508 177.4 10.2 9.9 5.9
31 1 3 3 33.376 66.752 1.6259 277.3 15.9 15.4 5.9
32 1 5 2 33.973 67.945 1.60069 299.1 17.1 16.6 5.9
33 0 4 3 34.476 68.952 1.58014 104.2 6.0 5.8 5.9
34 3 1 0 34.598 69.197 1.57526 76.7 4.4 4.2 5.9
35 3 1 1 35.947 71.895 1.52367 128.0 7.3 7.0 5.9
36 2 1 3 36.109 72.218 1.51778 19.0 1.1 1.0 5.9
37 2 4 2 36.233 72.466 1.51328 44.1 2.5 2.4 5.9
38 2 5 1 36.308 72.615 1.5106 30.9 1.8 1.7 6.0
39 0 0 4 36.585 73.169 1.50075 354.4 20.3 19.4 6.0
40 0 6 2 36.881 73.762 1.49038 465.1 26.7 25.5 6.0
41 3 3 0 38.217 76.435 1.44583 108.4 6.2 5.9 6.0
42 1 1 4 39.1 78.2 1.41826 19.6 1.1 1.1 6.0
43 1 7 0 39.487 78.973 1.40661 241.3 13.8 13.1 6.0
44 3 3 1 39.519 79.039 1.40563 143.3 8.2 7.8 6.0
45 3 1 2 39.886 79.773 1.39483 178.5 10.2 9.7 6.0
46 1 5 3 40.586 81.172 1.37485 37.6 2.2 2.0 6.1
47 3 2 2 41.198 82.396 1.35799 152.4 8.7 8.2 6.1
48 3 4 0 41.294 82.588 1.35541 30.4 1.7 1.6 6.1
49 1 3 4 42.594 85.188 1.3216 259.9 14.9 13.9 6.1
50 2 4 3 42.727 85.455 1.31827 38.5 2.2 2.1 6.1
51 0 6 3 43.349 86.698 1.30305 73.5 4.2 3.9 6.1
52 0 4 4 43.615 87.23 1.29667 61.1 3.5 3.2 6.2
53 0 8 0 43.995 87.989 1.28775 18.3 1.0 1.0 6.2
54 2 0 4 44.723 89.447 1.27111 113.6 6.5 6.0 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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