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
59, t-olivine, syn, f-olivine, s-forsterite
Mg(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.0312
10 .11 .1997
Ref.Str.:
Muller-Sommer M., Hocd R., Kirfel A. (1997)
* Phys. Chem. Minerals, 24, 17-23
Reserv:
In original - olivine[45]. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7536 alpha = 90.0
b = 10.2066 beta = 90.0
c = 5.9845 gamma = 90.0
Unit cell volume (cub. angs.) = 290.36
Molar volume ( cub.cm/mol.) = 43.72
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 Mg = 1.00
2 0.9921 0.2776 0.25 0.0 Mg = 1.00
3 0.4266 0.0934 0.25 0.0 Si = 1.00
4 0.7612 0.0932 0.25 0.0 O = 1.00
5 0.2177 0.4509 0.25 0.0 O = 1.00
6 0.28 0.1627 0.0376 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 0.9921 0.2776 0.25
3 3 0.4266 0.0934 0.25
4 4 0.7612 0.0932 0.25
5 5 0.2177 0.4509 0.25
6 6 0.28 0.1627 0.0376
7 2 0.0079 0.7224 0.75
8 3 0.5734 0.9066 0.75
9 4 0.2388 0.9068 0.75
10 5 0.7823 0.5491 0.75
11 6 0.72 0.8373 0.9624
12 1 0.0 0.0 0.5
13 6 0.72 0.8373 0.5376
14 6 0.28 0.1627 0.4624
15 1 0.5 0.5 0.0
16 2 0.5079 0.7776 0.25
17 3 0.0734 0.5934 0.25
18 4 0.7388 0.5932 0.25
19 5 0.2823 0.9509 0.25
20 6 0.22 0.6627 0.0376
21 2 0.4921 0.2224 0.75
22 3 0.9266 0.4066 0.75
23 4 0.2612 0.4068 0.75
24 5 0.7177 0.0491 0.75
25 6 0.78 0.3373 0.9624
26 1 0.5 0.5 0.5
27 6 0.78 0.3373 0.5376
28 6 0.22 0.6627 0.4624
X-ray density (g/cm cub.) = 3.22
MU (1/cm) = 152.117 Mass attenuation coefficient (cm**2/g) = 47.28
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.1052 4
2.1401 6
2.1052 4
2.1401 6
2.0713 5
2.0713 5
2 Mg 2.52 6
2.1788 4
2.0685 5
2.2054 6
2.2054 6
2.0857 6
2.0857 6
3 Si 2.1 4
1.5906 4
1.613 6
1.613 6
1.6081 5
4 O 3.264 12
2.8637 6
2.7113 6
3.1341 6
3.1341 6
2.8637 6
2.7113 6
2.8715 5
2.7004 5
3.033 5
3.033 5
3.0294 6
3.0294 6
5 O 3.264 10
3.2181 6
3.2181 6
2.8715 4
2.7004 4
2.5078 6
3.033 4
3.033 4
2.9387 6
2.9387 6
2.5078 6
6 O 3.264 10
2.7113 4
2.8637 4
3.2181 5
3.1341 4
2.5422 6
2.5078 5
3.0294 4
2.9387 5
3.0046 6
3.0046 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 10.094 20.189 0.098 62.19 2 29.9 131.6
2 1 1 0 11.98 23.96 0.116 43.54 4 10.5 22.7
3 0 2 1 13.317 26.635 0.129 34.84 4 49.0 397.5
4 1 0 1 13.904 27.809 0.134 31.8 4 29.8 134.3
5 1 1 1 14.82 29.64 0.143 27.75 8 16.8 74.2
6 1 2 0 14.901 29.802 0.144 27.43 4 25.5 84.6
7 1 2 1 17.303 34.607 0.166 19.86 8 13.8 36.1
8 0 0 2 17.393 34.786 0.167 19.64 2 46.9 102.3
9 1 3 0 18.863 37.726 0.181 16.43 4 66.4 343.5
10 0 2 2 20.275 40.549 0.194 14.0 4 7.0 3.3
11 0 4 0 20.52 41.041 0.196 13.63 2 0.1 0.0
12 1 3 1 20.866 41.732 0.199 13.13 8 59.4 439.0
13 1 1 2 21.342 42.683 0.203 12.49 8 68.5 555.7
14 2 0 0 22.107 44.213 0.21 11.54 2 9.4 2.4
15 0 4 1 22.4 44.801 0.213 11.2 4 35.7 67.7
16 2 1 0 22.731 45.461 0.216 10.83 4 32.4 54.1
17 1 2 2 23.223 46.446 0.22 10.32 8 48.4 229.5
18 1 4 0 23.444 46.888 0.222 10.1 4 57.2 156.8
19 2 1 1 24.475 48.95 0.232 9.16 8 35.6 110.0
20 2 2 0 24.528 49.057 0.232 9.12 4 4.8 1.0
21 1 4 1 25.151 50.301 0.238 8.61 8 2.5 0.5
22 1 3 2 26.124 52.249 0.246 7.9 8 19.5 28.4
23 2 2 1 26.182 52.365 0.247 7.86 8 6.1 2.8
24 2 3 0 27.327 54.654 0.257 7.13 4 22.4 17.0
25 0 4 2 27.432 54.863 0.258 7.07 4 19.3 12.5
26 1 5 0 28.481 56.962 0.267 6.49 4 33.8 35.1
27 2 0 2 28.725 57.45 0.269 6.37 4 16.1 7.8
28 0 2 3 28.779 57.557 0.269 6.34 4 6.3 1.2
29 2 3 1 28.868 57.735 0.27 6.3 8 2.9 0.5
30 1 0 3 29.096 58.191 0.272 6.18 4 9.5 2.7
31 2 1 2 29.244 58.488 0.273 6.11 8 7.4 3.2
32 1 1 3 29.611 59.221 0.276 5.95 8 19.1 20.5
33 1 4 2 29.844 59.688 0.278 5.84 8 6.0 2.0
34 1 5 1 29.983 59.966 0.279 5.78 8 18.9 19.6
35 2 2 2 30.768 61.536 0.286 5.46 8 83.6 362.1
36 2 4 0 30.951 61.901 0.287 5.39 4 64.7 106.8
37 1 2 3 31.124 62.248 0.289 5.32 8 24.0 29.1
38 0 6 0 31.723 63.446 0.294 5.1 2 3.1 0.1
39 2 4 1 32.383 64.766 0.299 4.88 8 41.6 80.0
40 0 6 1 33.137 66.274 0.306 4.64 4 60.0 79.3
41 2 3 2 33.217 66.434 0.306 4.62 8 19.4 16.5
42 1 3 3 33.559 67.117 0.309 4.52 8 50.1 107.7
43 1 6 0 33.95 67.9 0.312 4.41 4 17.8 6.6
44 1 5 2 34.251 68.502 0.315 4.33 8 22.1 20.1
45 0 4 3 34.691 69.382 0.318 4.22 4 54.2 58.8
46 3 1 0 34.838 69.676 0.319 4.18 4 33.2 21.9
47 2 5 0 35.282 70.564 0.323 4.08 4 8.8 1.5
48 1 6 1 35.319 70.637 0.323 4.07 8 4.4 0.8
49 3 0 1 35.729 71.457 0.326 3.98 4 23.4 10.3
50 3 1 1 36.191 72.383 0.33 3.88 8 23.2 19.8
51 3 2 0 36.234 72.467 0.33 3.87 4 28.2 14.6
52 2 1 3 36.293 72.585 0.331 3.86 8 24.1 21.2
53 2 4 2 36.503 73.005 0.333 3.82 8 28.5 29.4
54 2 5 1 36.629 73.257 0.334 3.79 8 27.5 27.3
55 0 0 4 36.716 73.432 0.334 3.77 2 134.1 161.0
56 1 4 3 36.83 73.661 0.335 3.75 8 15.0 8.0
57 0 6 2 37.218 74.435 0.338 3.68 4 114.0 227.0
58 3 2 1 37.567 75.133 0.341 3.62 8 14.2 6.9
59 2 2 3 37.666 75.333 0.342 3.6 8 17.9 11.0
60 3 3 0 38.515 77.029 0.348 3.46 4 32.3 17.1
61 0 2 4 38.537 77.073 0.348 3.46 4 23.0 8.7
62 1 1 4 39.261 78.523 0.354 3.35 8 3.8 0.5
63 1 6 2 39.304 78.608 0.354 3.35 8 8.3 2.2
64 3 3 1 39.822 79.643 0.358 3.28 8 37.4 43.5
65 1 7 0 39.916 79.831 0.359 3.27 4 65.1 65.7
66 2 3 3 39.92 79.839 0.359 3.26 8 6.1 1.2
67 3 1 2 40.146 80.292 0.36 3.24 8 37.7 43.7
68 2 6 0 40.286 80.573 0.361 3.22 4 12.7 2.5
69 2 5 2 40.569 81.139 0.364 3.19 8 9.9 2.9
70 1 2 4 40.603 81.205 0.364 3.18 8 6.7 1.3
71 1 5 3 40.887 81.774 0.366 3.15 8 11.4 3.9
72 1 7 1 41.211 82.422 0.368 3.12 8 13.5 5.4
73 3 2 2 41.481 82.961 0.37 3.09 8 64.1 120.3
74 2 6 1 41.579 83.159 0.371 3.08 8 12.1 4.3
75 3 4 0 41.642 83.285 0.371 3.07 4 55.7 45.2
76 1 3 4 42.818 85.636 0.38 2.97 8 44.6 56.1
77 3 4 1 42.928 85.856 0.381 2.96 8 32.5 29.6
78 2 4 3 43.025 86.05 0.381 2.95 8 18.6 9.7
79 3 3 2 43.689 87.378 0.386 2.9 8 4.8 0.6
80 0 6 3 43.712 87.424 0.386 2.9 4 47.0 30.4
81 0 4 4 43.871 87.743 0.387 2.89 4 11.3 1.7
82 0 8 0 44.514 89.028 0.392 2.85 2 11.4 0.9
83 2 0 4 44.946 89.891 0.395 2.83 4 30.8 12.8
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 10.094 20.189 5.1033 131.6 23.7 24.1 5.6
2 1 1 0 11.98 23.96 4.30917 22.7 4.1 4.2 5.6
3 0 2 1 13.317 26.635 3.88313 397.5 71.5 72.6 5.6
4 1 0 1 13.904 27.809 3.72223 134.3 24.2 24.5 5.6
5 1 1 1 14.82 29.64 3.49695 74.2 13.4 13.5 5.6
6 1 2 0 14.901 29.802 3.47837 84.6 15.2 15.4 5.6
7 1 2 1 17.303 34.607 3.00729 36.1 6.5 6.6 5.7
8 0 0 2 17.393 34.786 2.99225 102.3 18.4 18.5 5.7
9 1 3 0 18.863 37.726 2.76662 343.5 61.8 62.1 5.7
10 1 3 1 20.866 41.732 2.51125 439.0 79.0 79.1 5.7
11 1 1 2 21.342 42.683 2.4578 555.7 100.0 100.0 5.7
12 0 4 1 22.4 44.801 2.3472 67.7 12.2 12.2 5.7
13 2 1 0 22.731 45.461 2.31486 54.1 9.7 9.7 5.7
14 1 2 2 23.223 46.446 2.2684 229.5 41.3 41.1 5.7
15 1 4 0 23.444 46.888 2.24823 156.8 28.2 28.1 5.7
16 2 1 1 24.475 48.95 2.15898 110.0 19.8 19.7 5.7
17 1 3 2 26.124 52.249 2.03138 28.4 5.1 5.0 5.8
18 2 3 0 27.327 54.654 1.94842 17.0 3.1 3.0 5.8
19 0 4 2 27.432 54.863 1.94156 12.5 2.2 2.2 5.8
20 1 5 0 28.481 56.962 1.87569 35.1 6.3 6.2 5.8
21 2 0 2 28.725 57.45 1.86112 7.8 1.4 1.4 5.8
22 1 1 3 29.611 59.221 1.81027 20.5 3.7 3.6 5.8
23 1 5 1 29.983 59.966 1.78984 19.6 3.5 3.5 5.8
24 2 2 2 30.768 61.536 1.74847 362.1 65.2 63.6 5.8
25 2 4 0 30.951 61.901 1.73918 106.8 19.2 18.8 5.8
26 1 2 3 31.124 62.248 1.73046 29.1 5.2 5.1 5.8
27 2 4 1 32.383 64.766 1.67009 80.0 14.4 14.0 5.9
28 0 6 1 33.137 66.274 1.63628 79.3 14.3 13.8 5.9
29 2 3 2 33.217 66.434 1.63278 16.5 3.0 2.9 5.9
30 1 3 3 33.559 67.117 1.61808 107.7 19.4 18.7 5.9
31 1 6 0 33.95 67.9 1.60164 6.6 1.2 1.2 5.9
32 1 5 2 34.251 68.502 1.58926 20.1 3.6 3.5 5.9
33 0 4 3 34.691 69.382 1.57157 58.8 10.6 10.2 5.9
34 3 1 0 34.838 69.676 1.56578 21.9 3.9 3.8 5.9
35 3 0 1 35.729 71.457 1.53175 10.3 1.9 1.8 5.9
36 3 1 1 36.191 72.383 1.51479 19.8 3.6 3.4 5.9
37 3 2 0 36.234 72.467 1.51327 14.6 2.6 2.5 5.9
38 2 1 3 36.293 72.585 1.51115 21.2 3.8 3.7 6.0
39 2 4 2 36.503 73.005 1.50364 29.4 5.3 5.1 6.0
40 2 5 1 36.629 73.257 1.4992 27.3 4.9 4.7 6.0
41 0 0 4 36.716 73.432 1.49612 161.0 29.0 27.7 6.0
42 1 4 3 36.83 73.661 1.49214 8.0 1.4 1.4 6.0
43 0 6 2 37.218 74.435 1.47883 227.0 40.9 39.0 6.0
44 3 2 1 37.567 75.133 1.46709 6.9 1.2 1.2 6.0
45 2 2 3 37.666 75.333 1.46378 11.0 2.0 1.9 6.0
46 3 3 0 38.515 77.029 1.43639 25.8 4.6 4.4 6.0
47 3 3 1 39.822 79.643 1.39672 43.5 7.8 7.4 6.0
48 1 7 0 39.916 79.831 1.39398 66.9 12.0 11.4 6.0
49 3 1 2 40.146 80.292 1.38732 43.7 7.9 7.4 6.0
50 3 2 2 41.481 82.961 1.3504 120.3 21.7 20.3 6.1
51 3 4 0 41.642 83.285 1.34611 45.2 8.1 7.6 6.1
52 1 3 4 42.818 85.636 1.31602 56.1 10.1 9.4 6.1
53 3 4 1 42.928 85.856 1.31329 29.6 5.3 5.0 6.1
54 2 4 3 43.025 86.05 1.31092 9.7 1.7 1.6 6.1
55 0 6 3 43.712 87.424 1.29438 30.4 5.5 5.1 6.2
56 2 0 4 44.946 89.891 1.26616 12.8 2.3 2.1 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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