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
36, t-olivine, f-olivine, s-forsterite
(Mg,Fe)(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.027 NR =625
30 .9 .1992
Ref.Str.:
Ottonello G., Princivalle F., Giusta A.D. (1990)
* Phys. Chem. Minerals, 17, 4, 301-312
Reserv:
In original - olivine[21].
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7624 alpha = 90.0
b = 10.2243 beta = 90.0
c = 5.9922 gamma = 90.0
Unit cell volume (cub. angs.) = 291.77
Molar volume ( cub.cm/mol.) = 43.94
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 0.46 Mg = 0.9 , Fe = 0.1
2 0.9899 0.2777 0.25 0.47 Mg = 0.91, Fe = 0.0
3 0.4268 0.0944 0.25 0.38 Si = 1.00
4 0.7662 0.0917 0.25 0.47 O = 1.00
5 0.2206 0.4478 0.25 0.45 O = 1.00
6 0.2785 0.1632 0.0332 0.51 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 0.9899 0.2777 0.25
3 3 0.4268 0.0944 0.25
4 4 0.7662 0.0917 0.25
5 5 0.2206 0.4478 0.25
6 6 0.2785 0.1632 0.0332
7 2 0.0101 0.7223 0.75
8 3 0.5732 0.9056 0.75
9 4 0.2338 0.9083 0.75
10 5 0.7794 0.5522 0.75
11 6 0.7215 0.8368 0.9668
12 1 0.0 0.0 0.5
13 6 0.7215 0.8368 0.5332
14 6 0.2785 0.1632 0.4668
15 1 0.5 0.5 0.0
16 2 0.5101 0.7777 0.25
17 3 0.0732 0.5944 0.25
18 4 0.7338 0.5917 0.25
19 5 0.2794 0.9478 0.25
20 6 0.2215 0.6632 0.0332
21 2 0.4899 0.2223 0.75
22 3 0.9268 0.4056 0.75
23 4 0.2662 0.4083 0.75
24 5 0.7206 0.0522 0.75
25 6 0.7785 0.3368 0.9668
26 1 0.5 0.5 0.5
27 6 0.7785 0.3368 0.5332
28 6 0.2215 0.6632 0.4668
X-ray density (g/cm cub.) = 3.23
MU (1/cm) = 152.007 Mass attenuation coefficient (cm**2/g) = 47.099
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 6
2.0888 4
2.1408 6
2.0888 4
2.1408 6
2.0735 5
2.0735 5
2 Mg ,Fe 2.592 6
2.1798 4
2.0571 5
2.2242 6
2.2242 6
2.0636 6
2.0636 6
3 Si 2.1 4
1.6166 4
1.6375 6
1.6375 6
1.6551 5
4 O 3.264 12
2.8591 6
2.7598 6
3.1172 6
3.1172 6
2.8591 6
2.7598 6
2.8527 5
2.7458 5
3.031 5
3.031 5
3.0271 6
3.0271 6
5 O 3.264 10
3.1986 6
3.1986 6
2.8527 4
2.7458 4
2.5569 6
3.031 4
3.031 4
2.9327 6
2.9327 6
2.5569 6
6 O 3.264 10
2.7598 4
2.8591 4
3.1986 5
3.1172 4
2.5982 6
2.5569 5
3.0271 4
2.9327 5
2.9965 6
2.9965 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 10.077 20.154 0.098 62.42 2 37.5 206.4
2 1 1 0 11.958 23.916 0.116 43.71 4 3.0 1.8
3 0 2 1 13.296 26.593 0.129 34.96 4 47.7 373.3
4 1 0 1 13.881 27.763 0.134 31.91 4 28.0 117.8
5 1 1 1 14.795 29.59 0.143 27.85 8 13.8 49.9
6 1 2 0 14.874 29.747 0.143 27.54 4 24.7 79.2
7 1 2 1 17.274 34.547 0.166 19.94 8 13.4 33.7
8 0 0 2 17.37 34.74 0.167 19.69 2 37.3 64.4
9 1 3 0 18.828 37.656 0.18 16.5 4 69.3 372.1
10 0 2 2 20.245 40.49 0.193 14.05 4 8.5 4.8
11 0 4 0 20.483 40.967 0.196 13.69 2 0.8 0.0
12 1 3 1 20.829 41.658 0.199 13.19 8 55.1 376.7
13 1 1 2 21.309 42.618 0.203 12.53 8 70.4 583.1
14 2 0 0 22.064 44.127 0.21 11.59 2 10.5 3.0
15 0 4 1 22.361 44.722 0.213 11.24 4 33.5 59.4
16 2 1 0 22.686 45.373 0.216 10.88 4 32.6 54.5
17 1 2 2 23.186 46.372 0.22 10.36 8 48.4 228.1
18 1 4 0 23.4 46.801 0.222 10.15 4 57.7 158.9
19 2 1 1 24.429 48.858 0.231 9.2 8 34.7 103.9
20 2 2 0 24.481 48.961 0.232 9.16 4 11.7 5.9
21 1 4 1 25.105 50.21 0.237 8.65 8 0.6 0.0
22 1 3 2 26.081 52.162 0.246 7.93 8 23.3 40.4
23 2 2 1 26.133 52.265 0.246 7.89 8 2.9 0.6
24 2 3 0 27.273 54.547 0.256 7.16 4 22.5 17.1
25 0 4 2 27.386 54.772 0.257 7.09 4 26.3 23.1
26 1 5 0 28.427 56.854 0.266 6.52 4 38.8 46.2
27 2 0 2 28.674 57.347 0.268 6.39 4 9.9 3.0
28 0 2 3 28.736 57.473 0.269 6.36 4 8.8 2.3
29 2 3 1 28.812 57.624 0.269 6.32 8 3.3 0.7
30 1 0 3 29.052 58.104 0.271 6.21 4 7.0 1.4
31 2 1 2 29.192 58.383 0.273 6.14 8 8.7 4.4
32 1 1 3 29.566 59.131 0.276 5.97 8 15.3 13.2
33 1 4 2 29.792 59.583 0.278 5.86 8 5.3 1.6
34 1 5 1 29.927 59.853 0.279 5.81 8 17.0 15.8
35 2 2 2 30.712 61.424 0.285 5.48 8 82.6 351.6
36 2 4 0 30.889 61.778 0.287 5.41 4 63.8 103.3
37 1 2 3 31.075 62.15 0.289 5.34 8 21.8 23.8
38 0 6 0 31.662 63.323 0.293 5.12 2 0.2 0.0
39 2 4 1 32.319 64.639 0.299 4.9 8 37.8 65.9
40 0 6 1 33.074 66.147 0.305 4.66 4 55.0 66.2
41 2 3 2 33.155 66.31 0.306 4.64 8 19.5 16.6
42 1 3 3 33.504 67.007 0.309 4.54 8 45.7 88.9
43 1 6 0 33.883 67.765 0.312 4.43 4 17.1 6.1
44 1 5 2 34.188 68.375 0.314 4.35 8 22.6 20.9
45 0 4 3 34.633 69.267 0.318 4.23 4 48.4 46.7
46 3 1 0 34.764 69.529 0.319 4.2 4 33.3 21.9
47 2 5 0 35.21 70.42 0.322 4.1 4 7.4 1.1
48 1 6 1 35.249 70.498 0.323 4.09 8 2.4 0.2
49 3 0 1 35.654 71.308 0.326 3.99 4 21.7 8.8
50 3 1 1 36.116 72.231 0.329 3.9 8 18.4 12.4
51 3 2 0 36.156 72.313 0.33 3.89 4 27.4 13.7
52 2 1 3 36.229 72.457 0.33 3.87 8 23.7 20.4
53 2 4 2 36.432 72.864 0.332 3.83 8 32.6 38.2
54 2 5 1 36.554 73.108 0.333 3.81 8 28.3 28.6
55 0 0 4 36.661 73.323 0.334 3.78 2 131.1 152.9
56 1 4 3 36.766 73.533 0.335 3.76 8 11.1 4.4
57 0 6 2 37.147 74.294 0.338 3.69 4 112.6 219.9
58 3 2 1 37.487 74.974 0.34 3.63 8 13.6 6.3
59 2 2 3 37.598 75.197 0.341 3.61 8 17.4 10.2
60 3 3 0 38.431 76.863 0.347 3.47 4 32.9 17.7
61 0 2 4 38.476 76.953 0.348 3.47 4 25.7 10.8
62 1 1 4 39.199 78.397 0.353 3.36 8 0.3 0.0
63 1 6 2 39.227 78.454 0.354 3.36 8 8.8 2.4
64 3 3 1 39.736 79.472 0.357 3.29 8 34.4 36.5
65 1 7 0 39.832 79.664 0.358 3.28 4 61.9 58.9
66 2 3 3 39.845 79.691 0.358 3.27 8 4.1 0.5
67 3 1 2 40.063 80.126 0.36 3.25 8 39.9 48.5
68 2 6 0 40.2 80.401 0.361 3.23 4 6.2 0.6
69 2 5 2 40.487 80.975 0.363 3.2 8 9.3 2.6
70 1 2 4 40.536 81.071 0.363 3.19 8 8.0 1.9
71 1 5 3 40.811 81.622 0.365 3.16 8 10.4 3.2
72 1 7 1 41.125 82.25 0.368 3.12 8 13.9 5.7
73 3 2 2 41.393 82.787 0.37 3.1 8 61.6 110.5
74 2 6 1 41.491 82.982 0.37 3.09 8 11.3 3.7
75 3 4 0 41.55 83.1 0.371 3.08 4 52.7 40.2
76 1 3 4 42.744 85.488 0.379 2.97 8 44.8 56.0
77 3 4 1 42.833 85.666 0.38 2.97 8 30.7 26.3
78 2 4 3 42.941 85.882 0.381 2.96 8 17.2 8.3
79 3 3 2 43.595 87.19 0.385 2.91 8 0.2 0.0
80 0 6 3 43.628 87.255 0.386 2.91 4 42.7 24.9
81 0 4 4 43.794 87.589 0.387 2.9 4 9.7 1.3
82 0 8 0 44.417 88.833 0.391 2.86 2 12.1 1.0
83 2 0 4 44.863 89.726 0.394 2.84 4 28.0 10.4
84 1 7 2 44.967 89.933 0.395 2.83 8 9.7 2.5
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 10.077 20.154 5.11215 206.4 35.4 36.1 5.6
2 0 2 1 13.296 26.593 3.88913 373.3 64.0 65.0 5.6
3 1 0 1 13.881 27.763 3.72831 117.8 20.2 20.5 5.6
4 1 1 1 14.795 29.59 3.5027 49.9 8.6 8.7 5.6
5 1 2 0 14.874 29.747 3.48462 79.2 13.6 13.7 5.6
6 1 2 1 17.274 34.547 3.01231 33.7 5.8 5.8 5.7
7 0 0 2 17.37 34.74 2.9961 64.4 11.0 11.1 5.7
8 1 3 0 18.828 37.656 2.77153 372.1 63.8 64.1 5.7
9 1 3 1 20.829 41.658 2.51549 376.7 64.6 64.7 5.7
10 1 1 2 21.309 42.618 2.4614 583.1 100.0 100.0 5.7
11 0 4 1 22.361 44.722 2.35111 59.4 10.2 10.2 5.7
12 2 1 0 22.686 45.373 2.31913 54.5 9.3 9.3 5.7
13 1 2 2 23.186 46.372 2.27181 228.1 39.1 39.0 5.7
14 1 4 0 23.4 46.801 2.25219 158.9 27.2 27.1 5.7
15 2 1 1 24.429 48.858 2.1628 103.9 17.8 17.7 5.7
16 2 2 0 24.481 48.961 2.15853 5.9 1.0 1.0 5.7
17 1 3 2 26.081 52.162 2.03453 40.4 6.9 6.9 5.8
18 2 3 0 27.273 54.547 1.95196 17.1 2.9 2.9 5.8
19 0 4 2 27.386 54.772 1.94456 23.1 4.0 3.9 5.8
20 1 5 0 28.427 56.854 1.87898 46.2 7.9 7.8 5.8
21 1 1 3 29.566 59.131 1.81277 13.2 2.3 2.2 5.8
22 1 5 1 29.927 59.853 1.7929 15.8 2.7 2.7 5.8
23 2 2 2 30.712 61.424 1.75135 351.6 60.3 58.9 5.8
24 2 4 0 30.889 61.778 1.74231 103.3 17.7 17.3 5.8
25 1 2 3 31.075 62.15 1.7329 23.8 4.1 4.0 5.8
26 2 4 1 32.319 64.639 1.67302 65.9 11.3 11.0 5.9
27 0 6 1 33.074 66.147 1.63906 66.2 11.4 11.0 5.9
28 2 3 2 33.155 66.31 1.63548 16.6 2.8 2.8 5.9
29 1 3 3 33.504 67.007 1.62043 88.9 15.2 14.7 5.9
30 1 6 0 33.883 67.765 1.60443 6.1 1.0 1.0 5.9
31 1 5 2 34.188 68.375 1.59183 20.9 3.6 3.5 5.9
32 0 4 3 34.633 69.267 1.57386 46.7 8.0 7.7 5.9
33 3 1 0 34.764 69.529 1.56867 21.9 3.8 3.6 5.9
34 3 0 1 35.654 71.308 1.53453 8.8 1.5 1.5 5.9
35 3 1 1 36.116 72.231 1.51753 12.4 2.1 2.0 5.9
36 3 2 0 36.156 72.313 1.51605 13.7 2.4 2.3 5.9
37 2 1 3 36.229 72.457 1.51345 20.4 3.5 3.4 5.9
38 2 4 2 36.432 72.864 1.50615 38.2 6.6 6.3 6.0
39 2 5 1 36.554 73.108 1.50183 28.6 4.9 4.7 6.0
40 0 0 4 36.661 73.323 1.49805 152.9 26.2 25.1 6.0
41 0 6 2 37.147 74.294 1.48123 219.9 37.7 36.0 6.0
42 3 2 1 37.487 74.974 1.46974 6.3 1.1 1.0 6.0
43 2 2 3 37.598 75.197 1.46603 10.2 1.8 1.7 6.0
44 3 3 0 38.431 76.863 1.43902 17.7 3.0 2.9 6.0
45 0 2 4 38.476 76.953 1.4376 10.8 1.9 1.8 6.0
46 3 3 1 39.736 79.472 1.39924 36.5 6.3 5.9 6.0
47 1 7 0 39.832 79.664 1.39641 59.5 10.2 9.6 6.0
48 3 1 2 40.063 80.126 1.38971 48.5 8.3 7.8 6.0
49 3 2 2 41.393 82.787 1.35273 110.5 18.9 17.8 6.1
50 3 4 0 41.55 83.1 1.34855 40.2 6.9 6.5 6.1
51 1 3 4 42.744 85.488 1.31786 56.0 9.6 8.9 6.1
52 3 4 1 42.833 85.666 1.31565 26.3 4.5 4.2 6.1
53 2 4 3 42.941 85.882 1.31298 8.3 1.4 1.3 6.1
54 0 6 3 43.628 87.255 1.29638 24.9 4.3 4.0 6.2
55 2 0 4 44.863 89.726 1.26799 10.4 1.8 1.6 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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