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
26, t-olivine, f-olivine, s-forsterite
[Mg(1.79)Fe(0.21)]SiO(4)
Orthorhombic P nma Z = 4
R =0.03 NR =976
20 .1 .1992
Ref.Str.:
Nover G., Will G. (1981)
* Z. Kristallogr., 155, 27-45
Reserv:
In original - olivine[11].
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.2391 alpha = 90.0
b = 6.0027 beta = 90.0
c = 4.7673 gamma = 90.0
Unit cell volume (cub. angs.) = 293.01
Molar volume ( cub.cm/mol.) = 44.12
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 = 0.89, Fe = 0.11
2 0.2777 0.25 0.9897 0.0 Mg = 0.9 , Fe = 0.1
3 0.0945 0.25 0.4267 0.0 Si = 1.00
4 0.0917 0.25 0.7662 0.0 O = 1.00
5 0.4475 0.25 0.2208 0.0 O = 1.00
6 0.1634 0.0336 0.2784 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 0.2777 0.25 0.9897
3 3 0.0945 0.25 0.4267
4 4 0.0917 0.25 0.7662
5 5 0.4475 0.25 0.2208
6 6 0.1634 0.0336 0.2784
7 1 0.5 0.0 0.5
8 2 0.2223 0.75 0.4897
9 3 0.4055 0.75 0.9267
10 4 0.4083 0.75 0.2662
11 5 0.0525 0.75 0.7208
12 6 0.3366 0.9664 0.7784
13 1 0.5 0.5 0.5
14 6 0.3366 0.5336 0.7784
15 1 0.0 0.5 0.0
16 6 0.1634 0.4664 0.2784
17 2 0.7777 0.25 0.5103
18 3 0.5945 0.25 0.0733
19 4 0.5917 0.25 0.7338
20 5 0.9475 0.25 0.2792
21 6 0.6634 0.0336 0.2216
22 2 0.7223 0.75 0.0103
23 3 0.9055 0.75 0.5733
24 4 0.9083 0.75 0.2338
25 5 0.5525 0.75 0.7792
26 6 0.8366 0.9664 0.7216
27 6 0.8366 0.5336 0.7216
28 6 0.6634 0.4664 0.2216
X-ray density (g/cm cub.) = 3.34
MU (1/cm) = 175.53 Mass attenuation coefficient (cm**2/g) = 52.568
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 6
2.0919 4
2.1451 6
2.0767 5
2.0767 5
2.0919 4
2.1451 6
2 Mg ,Fe 2.592 6
2.1823 4
2.0583 5
2.2251 6
2.068 6
2.068 6
2.2251 6
3 Si 2.1 4
1.6188 4
1.6386 6
1.6386 6
1.6613 5
4 O 3.264 12
2.8616 6
2.763 6
3.0358 5
3.0358 5
3.0314 6
3.0314 6
2.8616 6
2.763 6
2.8568 5
2.7514 5
3.125 6
3.125 6
5 O 3.264 10
3.1976 6
3.0358 4
3.0358 4
2.9386 6
2.9386 6
3.1976 6
2.8568 4
2.7514 4
2.564 6
2.564 6
6 O 3.264 10
2.763 4
2.8616 4
3.1976 5
3.0314 4
2.9386 5
2.9982 6
2.9982 6
2.598 6
2.564 5
3.125 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 2 0 0 8.653 17.307 0.098 85.41 2 30.0 178.8
2 1 0 1 10.267 20.533 0.116 60.05 4 4.6 5.8
3 2 1 0 11.405 22.811 0.128 48.25 4 46.2 480.0
4 0 1 1 11.908 23.815 0.134 44.1 4 28.4 165.2
5 1 1 1 12.687 25.373 0.143 38.6 8 21.7 169.9
6 2 0 1 12.755 25.51 0.143 38.17 4 25.6 116.3
7 2 1 1 14.795 29.59 0.166 27.85 8 14.2 52.0
8 0 2 0 14.871 29.742 0.167 27.55 2 46.3 137.8
9 3 0 1 16.115 32.23 0.18 23.18 4 75.2 610.9
10 2 2 0 17.307 34.615 0.193 19.85 4 15.8 23.1
11 4 0 0 17.513 35.025 0.195 19.35 2 6.3 1.8
12 3 1 1 17.806 35.612 0.198 18.66 8 63.6 702.8
13 1 2 1 18.208 36.415 0.203 17.76 8 74.3 913.8
14 0 0 2 18.854 37.707 0.21 16.45 2 18.4 12.9
15 4 1 0 19.095 38.19 0.212 16.0 4 39.4 115.6
16 1 0 2 19.378 38.755 0.215 15.49 4 34.9 88.1
17 2 2 1 19.788 39.576 0.22 14.78 8 49.6 339.3
18 4 0 1 19.971 39.943 0.222 14.48 4 60.1 243.6
19 1 1 2 20.839 41.678 0.231 13.17 8 36.1 159.6
20 2 0 2 20.883 41.766 0.231 13.11 4 6.1 2.3
21 4 1 1 21.399 42.798 0.237 12.41 8 0.1 0.0
22 3 2 1 22.212 44.424 0.245 11.41 8 20.8 45.9
23 2 1 2 22.263 44.526 0.246 11.35 8 5.1 2.7
24 3 0 2 23.214 46.427 0.256 10.33 4 23.0 25.5
25 4 2 0 23.297 46.594 0.257 10.25 4 23.2 25.6
26 5 0 1 24.166 48.332 0.266 9.43 4 36.1 57.4
27 0 2 2 24.372 48.745 0.268 9.25 4 17.0 12.5
28 2 3 0 24.414 48.828 0.268 9.21 4 7.1 2.2
29 3 1 2 24.489 48.978 0.269 9.15 8 3.3 0.9
30 0 3 1 24.677 49.354 0.271 8.99 4 7.9 2.6
31 1 2 2 24.801 49.602 0.272 8.89 8 10.2 8.7
32 1 3 1 25.102 50.203 0.275 8.65 8 22.2 39.7
33 4 2 1 25.292 50.584 0.277 8.5 8 5.5 2.4
34 5 1 1 25.405 50.811 0.278 8.42 8 22.0 38.0
35 2 2 2 26.055 52.111 0.285 7.95 8 92.9 638.9
36 4 0 2 26.204 52.407 0.287 7.84 4 71.9 188.7
37 2 3 1 26.346 52.691 0.288 7.75 8 23.5 40.0
38 6 0 0 26.832 53.664 0.293 7.43 2 3.1 0.2
39 4 1 2 27.376 54.752 0.298 7.1 8 44.1 128.6
40 6 1 0 27.986 55.973 0.305 6.75 4 63.6 127.2
41 3 2 2 28.057 56.114 0.305 6.71 8 20.3 25.7
42 3 3 1 28.333 56.666 0.308 6.57 8 53.9 177.8
43 6 0 1 28.648 57.295 0.311 6.4 4 17.6 9.2
44 5 2 1 28.893 57.786 0.314 6.28 8 28.2 46.7
45 4 3 0 29.25 58.5 0.317 6.11 4 55.7 88.4
46 1 0 3 29.375 58.751 0.318 6.05 4 34.4 33.3
47 5 0 2 29.729 59.458 0.322 5.89 4 7.4 1.5
48 6 1 1 29.755 59.511 0.322 5.88 8 2.6 0.4
49 0 1 3 30.094 60.189 0.325 5.73 4 22.1 13.0
50 1 1 3 30.467 60.933 0.329 5.58 8 25.2 33.1
51 2 0 3 30.5 61.0 0.329 5.56 4 29.9 23.2
52 1 3 2 30.545 61.09 0.33 5.55 8 25.3 33.1
53 4 2 2 30.712 61.425 0.332 5.48 8 30.5 47.4
54 5 1 2 30.812 61.625 0.332 5.44 8 31.1 49.1
55 0 4 0 30.883 61.766 0.333 5.41 2 146.1 269.3
56 4 3 1 30.974 61.947 0.334 5.38 8 11.4 6.6
57 6 2 0 31.281 62.562 0.337 5.26 4 123.9 376.4
58 2 1 3 31.568 63.136 0.34 5.16 8 15.8 12.0
59 2 3 2 31.645 63.29 0.341 5.13 8 17.1 14.0
60 3 0 3 32.323 64.646 0.347 4.9 4 38.0 33.0
61 2 4 0 32.336 64.672 0.347 4.89 4 22.5 11.5
62 1 4 1 32.912 65.824 0.353 4.71 8 0.8 0.0
63 6 2 1 32.942 65.885 0.353 4.7 8 9.3 3.8
64 3 1 3 33.358 66.717 0.357 4.58 8 41.7 74.1
65 7 0 1 33.424 66.849 0.358 4.56 4 71.9 109.8
66 3 3 2 33.433 66.866 0.358 4.56 8 4.7 0.9
67 1 2 3 33.615 67.23 0.359 4.5 8 44.0 81.3
68 6 0 2 33.72 67.439 0.36 4.48 4 9.5 1.9
69 5 2 2 33.943 67.887 0.362 4.41 8 10.6 4.6
70 2 4 1 33.97 67.94 0.363 4.41 8 8.8 3.2
71 5 3 1 34.191 68.382 0.365 4.35 8 14.7 8.8
72 7 1 1 34.443 68.886 0.367 4.28 8 13.4 7.2
73 2 2 3 34.662 69.325 0.369 4.23 8 67.5 179.4
74 6 1 2 34.734 69.468 0.37 4.21 8 17.0 11.3
75 4 0 3 34.788 69.575 0.37 4.2 4 56.7 63.0
76 3 4 1 35.699 71.398 0.379 3.98 8 51.4 98.0
77 4 1 3 35.788 71.576 0.38 3.96 8 34.4 43.7
78 4 3 2 35.86 71.721 0.38 3.95 8 21.9 17.6
79 3 2 3 36.377 72.754 0.385 3.84 8 2.2 0.2
80 6 3 0 36.388 72.775 0.385 3.84 4 51.2 46.9
81 4 4 0 36.512 73.024 0.386 3.81 4 14.3 3.6
82 8 0 0 37.001 74.003 0.391 3.72 2 13.9 1.7
83 0 4 2 37.34 74.68 0.394 3.66 4 35.7 21.8
84 7 2 1 37.423 74.845 0.394 3.64 8 15.3 8.0
85 1 4 2 37.676 75.351 0.397 3.6 8 21.8 15.9
86 6 2 2 37.704 75.408 0.397 3.59 8 22.1 16.4
87 5 0 3 37.847 75.694 0.398 3.57 4 21.1 7.4
88 6 3 1 37.941 75.883 0.399 3.55 8 18.6 11.4
89 8 1 0 37.978 75.957 0.399 3.55 4 15.6 4.0
90 4 4 1 38.064 76.128 0.4 3.53 8 25.8 21.9
91 7 0 2 38.159 76.319 0.401 3.52 4 19.9 6.5
92 0 3 3 38.243 76.486 0.402 3.5 4 37.5 23.0
93 8 0 1 38.546 77.092 0.404 3.46 4 13.5 3.0
94 1 3 3 38.576 77.152 0.405 3.45 8 13.4 5.8
95 2 4 2 38.677 77.353 0.406 3.44 8 2.2 0.2
96 4 2 3 38.726 77.453 0.406 3.43 8 19.7 12.4
97 5 1 3 38.816 77.633 0.407 3.42 8 7.0 1.6
98 5 3 2 38.887 77.774 0.408 3.41 8 30.6 29.8
99 7 1 2 39.127 78.253 0.41 3.37 8 12.4 4.8
100 8 1 1 39.511 79.021 0.413 3.32 8 10.5 3.4
101 2 3 3 39.57 79.14 0.414 3.31 8 6.8 1.4
102 0 0 4 40.263 80.527 0.42 3.22 2 82.3 50.9
103 3 4 2 40.328 80.657 0.42 3.21 8 18.8 10.6
104 1 0 4 40.592 81.184 0.422 3.18 4 9.5 1.3
105 8 2 0 40.864 81.729 0.425 3.15 4 25.0 9.2
106 5 4 1 41.037 82.075 0.426 3.13 8 30.0 26.4
107 3 3 3 41.213 82.426 0.428 3.12 8 36.6 38.9
108 2 5 0 41.225 82.45 0.428 3.11 4 38.6 21.6
109 0 5 1 41.425 82.851 0.429 3.09 4 30.3 13.2
110 6 0 3 41.479 82.958 0.43 3.09 4 0.8 0.0
111 1 1 4 41.544 83.089 0.43 3.08 8 9.3 2.5
112 2 0 4 41.574 83.148 0.431 3.08 4 2.8 0.1
113 5 2 3 41.687 83.375 0.432 3.07 8 42.5 51.7
114 1 5 1 41.752 83.504 0.432 3.06 8 9.8 2.7
115 7 2 2 41.993 83.985 0.434 3.04 8 30.8 26.8
116 7 3 1 42.224 84.447 0.436 3.02 8 15.1 6.4
117 8 2 1 42.371 84.742 0.437 3.01 8 27.2 20.7
118 6 1 3 42.428 84.856 0.438 3.0 8 33.2 30.8
119 6 3 2 42.497 84.994 0.439 2.99 8 18.0 9.0
120 2 1 4 42.522 85.045 0.439 2.99 8 8.3 1.9
121 4 4 2 42.616 85.232 0.44 2.98 8 46.0 59.0
122 2 5 1 42.729 85.459 0.44 2.98 8 1.6 0.1
123 8 0 2 43.087 86.173 0.443 2.95 4 48.4 32.1
124 6 4 0 43.12 86.239 0.444 2.94 4 13.0 2.3
125 3 0 4 43.202 86.404 0.444 2.94 4 21.8 6.5
126 4 3 3 43.493 86.986 0.447 2.92 8 39.1 41.6
127 8 1 2 44.031 88.063 0.451 2.88 8 19.1 9.8
128 0 2 4 44.059 88.117 0.451 2.88 4 5.6 0.4
129 9 0 1 44.113 88.226 0.452 2.88 4 8.2 0.9
130 3 1 4 44.147 88.293 0.452 2.88 8 2.7 0.2
131 3 5 1 44.353 88.706 0.454 2.86 8 43.6 50.8
132 1 2 4 44.383 88.766 0.454 2.86 8 32.2 27.6
133 6 4 1 44.617 89.234 0.456 2.85 8 11.6 3.6
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 2 0 0 8.653 17.307 5.11955 178.8 19.6 19.9 5.6
2 2 1 0 11.405 22.811 3.89526 480.0 52.5 53.1 5.6
3 0 1 1 11.908 23.815 3.73319 165.2 18.1 18.3 5.6
4 1 1 1 12.687 25.373 3.50734 169.9 18.6 18.8 5.6
5 2 0 1 12.755 25.51 3.48888 116.3 12.7 12.8 5.6
6 2 1 1 14.795 29.59 3.01639 52.0 5.7 5.7 5.6
7 0 2 0 14.871 29.742 3.00135 137.8 15.1 15.2 5.6
8 3 0 1 16.115 32.23 2.77515 610.9 66.9 67.1 5.6
9 2 2 0 17.307 34.615 2.58921 23.1 2.5 2.5 5.7
10 3 1 1 17.806 35.612 2.51897 702.8 76.9 77.0 5.7
11 1 2 1 18.208 36.415 2.46519 913.8 100.0 100.0 5.7
12 0 0 2 18.854 37.707 2.38365 12.9 1.4 1.4 5.7
13 4 1 0 19.095 38.19 2.35462 115.6 12.7 12.6 5.7
14 1 0 2 19.378 38.755 2.32157 88.1 9.6 9.6 5.7
15 2 2 1 19.788 39.576 2.27528 339.3 37.1 37.0 5.7
16 4 0 1 19.971 39.943 2.25523 243.6 26.7 26.6 5.7
17 1 1 2 20.839 41.678 2.16527 159.6 17.5 17.4 5.7
18 3 2 1 22.212 44.424 2.03761 45.9 5.0 5.0 5.7
19 3 0 2 23.214 46.427 1.95423 25.5 2.8 2.8 5.7
20 4 2 0 23.297 46.594 1.94763 25.6 2.8 2.8 5.7
21 5 0 1 24.166 48.332 1.88157 57.4 6.3 6.2 5.7
22 0 2 2 24.372 48.745 1.86659 12.5 1.4 1.3 5.7
23 1 3 1 25.102 50.203 1.81574 39.7 4.3 4.3 5.7
24 5 1 1 25.405 50.811 1.79543 38.0 4.2 4.1 5.8
25 2 2 2 26.055 52.111 1.75367 638.9 69.9 68.7 5.8
26 4 0 2 26.204 52.407 1.74444 188.7 20.6 20.3 5.8
27 2 3 1 26.346 52.691 1.73571 40.0 4.4 4.3 5.8
28 4 1 2 27.376 54.752 1.67514 128.6 14.1 13.8 5.8
29 6 1 0 27.986 55.973 1.64147 127.2 13.9 13.6 5.8
30 3 2 2 28.057 56.114 1.63768 25.7 2.8 2.7 5.8
31 3 3 1 28.333 56.666 1.62302 177.8 19.5 19.0 5.8
32 6 0 1 28.648 57.295 1.60668 9.2 1.0 1.0 5.8
33 5 2 1 28.893 57.786 1.5942 46.7 5.1 5.0 5.8
34 4 3 0 29.25 58.5 1.57644 88.4 9.7 9.4 5.8
35 1 0 3 29.375 58.751 1.5703 33.3 3.6 3.6 5.8
36 0 1 3 30.094 60.189 1.53618 13.0 1.4 1.4 5.8
37 1 1 3 30.467 60.933 1.51918 33.1 3.6 3.5 5.8
38 2 0 3 30.5 61.0 1.51767 23.2 2.5 2.5 5.8
39 1 3 2 30.545 61.09 1.51565 33.1 3.6 3.5 5.8
40 4 2 2 30.712 61.425 1.5082 47.4 5.2 5.0 5.8
41 5 1 2 30.812 61.625 1.50378 49.1 5.4 5.2 5.8
42 0 4 0 30.883 61.766 1.50067 269.3 29.5 28.6 5.8
43 6 2 0 31.281 62.562 1.48349 376.4 41.2 39.9 5.8
44 2 1 3 31.568 63.136 1.47137 12.0 1.3 1.3 5.9
45 2 3 2 31.645 63.29 1.46816 14.0 1.5 1.5 5.9
46 3 0 3 32.323 64.646 1.44061 44.5 4.9 4.7 5.9
47 3 1 3 33.358 66.717 1.40083 74.1 8.1 7.8 5.9
48 7 0 1 33.424 66.849 1.39839 110.8 12.1 11.7 5.9
49 1 2 3 33.615 67.23 1.39137 81.3 8.9 8.5 5.9
50 2 2 3 34.662 69.325 1.35436 179.4 19.6 18.8 5.9
51 6 1 2 34.734 69.468 1.35192 11.3 1.2 1.2 5.9
52 4 0 3 34.788 69.575 1.3501 63.0 6.9 6.6 5.9
53 3 4 1 35.699 71.398 1.32003 98.0 10.7 10.2 5.9
54 4 1 3 35.788 71.576 1.31719 43.7 4.8 4.6 5.9
55 4 3 2 35.86 71.721 1.31489 17.6 1.9 1.8 5.9
56 6 3 0 36.388 72.775 1.29842 46.9 5.1 4.9 6.0
57 0 4 2 37.34 74.68 1.26995 21.8 2.4 2.3 6.0
58 6 2 2 37.704 75.408 1.25949 32.3 3.5 3.3 6.0
59 6 3 1 37.941 75.883 1.25278 11.4 1.3 1.2 6.0
60 4 4 1 38.064 76.128 1.24936 21.9 2.4 2.3 6.0
61 0 3 3 38.243 76.486 1.2444 23.0 2.5 2.4 6.0
62 4 2 3 38.726 77.453 1.23126 12.4 1.4 1.3 6.0
63 5 3 2 38.887 77.774 1.22698 29.8 3.3 3.1 6.0
64 0 0 4 40.263 80.527 1.19183 50.9 5.6 5.2 6.1
65 3 4 2 40.328 80.657 1.19023 10.6 1.2 1.1 6.1
66 8 2 0 40.864 81.729 1.17731 9.2 1.0 0.9 6.1
67 5 4 1 41.037 82.075 1.17322 26.4 2.9 2.7 6.1
68 3 3 3 41.213 82.426 1.16911 60.5 6.6 6.2 6.1
69 0 5 1 41.425 82.851 1.16419 13.2 1.4 1.3 6.1
70 5 2 3 41.687 83.375 1.1582 51.7 5.7 5.3 6.1
71 7 2 2 41.993 83.985 1.15133 26.8 2.9 2.7 6.1
72 8 2 1 42.371 84.742 1.14297 20.7 2.3 2.1 6.1
73 6 1 3 42.428 84.856 1.14173 30.8 3.4 3.1 6.1
74 6 3 2 42.497 84.994 1.14023 10.9 1.2 1.1 6.1
75 4 4 2 42.616 85.232 1.13764 59.0 6.5 6.0 6.1
76 8 0 2 43.087 86.173 1.12762 32.1 3.5 3.2 6.1
77 4 3 3 43.493 86.986 1.11916 41.6 4.5 4.2 6.1
78 8 1 2 44.031 88.063 1.10823 10.3 1.1 1.0 6.2
79 3 5 1 44.353 88.706 1.10186 78.4 8.6 7.9 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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