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
6, t-olivine, at 47 kbar, f-olivine, s-forsterite
Mg(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.036 NR =126
26 .9 .1991
Ref.Str.:
Kudoh Y., Takeuchi Y. (1985)
* Z. Kristallogr., 171, 291-302
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.716 alpha = 90.0
b = 10.031 beta = 90.0
c = 5.901 gamma = 90.0
Unit cell volume (cub. angs.) = 279.15
Molar volume ( cub.cm/mol.) = 42.04
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 0.28 Mg = 1.00
2 0.992 0.2776 0.25 0.08 Mg = 1.00
3 0.4263 0.0939 0.25 0.05 Si = 1.00
4 0.7667 0.091 0.25 0.37 O = 1.00
5 0.2222 0.4471 0.25 0.25 O = 1.00
6 0.2785 0.1634 0.0329 0.22 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 0.992 0.2776 0.25
3 3 0.4263 0.0939 0.25
4 4 0.7667 0.091 0.25
5 5 0.2222 0.4471 0.25
6 6 0.2785 0.1634 0.0329
7 2 0.008 0.7224 0.75
8 3 0.5737 0.9061 0.75
9 4 0.2333 0.909 0.75
10 5 0.7778 0.5529 0.75
11 6 0.7215 0.8366 0.9671
12 1 0.0 0.0 0.5
13 6 0.7215 0.8366 0.5329
14 6 0.2785 0.1634 0.4671
15 1 0.5 0.5 0.0
16 2 0.508 0.7776 0.25
17 3 0.0737 0.5939 0.25
18 4 0.7333 0.591 0.25
19 5 0.2778 0.9471 0.25
20 6 0.2215 0.6634 0.0329
21 2 0.492 0.2224 0.75
22 3 0.9263 0.4061 0.75
23 4 0.2667 0.409 0.75
24 5 0.7222 0.0529 0.75
25 6 0.7785 0.3366 0.9671
26 1 0.5 0.5 0.5
27 6 0.7785 0.3366 0.5329
28 6 0.2215 0.6634 0.4671
X-ray density (g/cm cub.) = 3.35
MU (1/cm) = 102.621 Mass attenuation coefficient (cm**2/g) = 30.665
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.0543 4
2.1093 6
2.0543 4
2.1093 6
2.0431 5
2.0431 5
2 Mg 2.52 6
2.1523 4
2.0173 5
2.1861 6
2.1861 6
2.0374 6
2.0374 6
3 Si 2.1 4
1.6056 4
1.6165 6
1.6165 6
1.6306 5
4 O 3.264 12
2.8274 6
2.733 6
3.0569 6
3.0569 6
2.8274 6
2.733 6
2.8095 5
2.7202 5
2.9825 5
2.9825 5
2.9765 6
2.9765 6
5 O 3.264 10
3.1321 6
3.1321 6
2.8095 4
2.7202 4
2.5197 6
2.9825 4
2.9825 4
2.8972 6
2.8972 6
2.5197 6
6 O 3.264 10
2.733 4
2.8274 4
3.1321 5
3.0569 4
2.5622 6
2.5197 5
2.9765 4
2.8972 5
2.9546 6
2.9546 6
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 0 2 0 8.834 17.669 0.1 81.86 2 29.3 180.1
2 1 1 0 10.398 20.796 0.117 58.49 4 8.8 23.2
3 0 2 1 11.628 23.256 0.131 46.34 4 46.8 521.6
4 1 0 1 12.069 24.138 0.136 42.87 4 29.0 185.3
5 1 1 1 12.87 25.74 0.145 37.45 8 17.5 117.3
6 1 2 0 12.956 25.911 0.146 36.93 4 25.2 120.3
7 1 2 1 15.036 30.072 0.168 26.91 8 13.3 49.0
8 0 0 2 15.133 30.267 0.169 26.54 2 46.4 146.8
9 1 3 0 16.403 32.807 0.183 22.31 4 67.4 519.9
10 0 2 2 17.631 35.263 0.197 19.06 4 7.2 5.1
11 0 4 0 17.888 35.776 0.199 18.47 2 0.6 0.0
12 1 3 1 18.126 36.252 0.202 17.94 8 59.9 660.2
13 1 1 2 18.505 37.009 0.206 17.14 8 68.1 815.1
14 2 0 0 19.067 38.133 0.212 16.05 2 10.6 4.6
15 0 4 1 19.496 38.993 0.217 15.28 4 37.3 109.1
16 2 1 0 19.607 39.215 0.218 15.09 4 33.3 85.6
17 1 2 2 20.128 40.257 0.223 14.23 8 48.5 344.1
18 1 4 0 20.358 40.716 0.226 13.88 4 58.0 239.4
19 2 1 1 21.104 42.208 0.234 12.8 8 35.8 168.2
20 2 2 0 21.16 42.319 0.234 12.73 4 4.9 1.5
21 1 4 1 21.812 43.625 0.241 11.89 8 0.1 0.0
22 2 2 1 22.572 45.144 0.249 11.01 8 3.3 1.2
23 1 3 2 22.618 45.236 0.25 10.96 8 18.1 36.7
24 2 3 0 23.561 47.122 0.259 9.99 4 24.5 30.9
25 0 4 2 23.773 47.546 0.262 9.79 4 20.7 21.6
26 1 5 0 24.661 49.322 0.271 9.01 4 34.0 53.4
27 2 0 2 24.719 49.438 0.271 8.96 4 18.1 15.0
28 2 3 1 24.866 49.732 0.273 8.84 8 3.8 1.3
29 0 2 3 24.875 49.75 0.273 8.83 4 8.5 3.3
30 1 0 3 25.106 50.213 0.275 8.65 4 6.1 1.7
31 2 1 2 25.161 50.322 0.276 8.6 8 9.0 7.2
32 1 1 3 25.543 51.086 0.28 8.31 8 18.6 29.4
33 1 4 2 25.782 51.564 0.282 8.14 8 6.2 3.2
34 1 5 1 25.925 51.849 0.284 8.04 8 18.8 29.3
35 2 2 2 26.454 52.908 0.289 7.68 8 83.9 555.1
36 2 4 0 26.641 53.282 0.291 7.55 4 63.9 158.3
37 1 2 3 26.823 53.646 0.293 7.44 8 22.2 37.5
38 0 6 0 27.435 54.87 0.299 7.07 2 6.5 0.8
39 2 4 1 27.84 55.681 0.303 6.83 8 41.4 120.5
40 2 3 2 28.518 57.035 0.31 6.47 8 21.6 31.0
41 0 6 1 28.612 57.224 0.311 6.42 4 58.0 111.0
42 1 3 3 28.869 57.737 0.313 6.29 8 50.7 166.4
43 1 6 0 29.264 58.528 0.317 6.1 4 17.6 9.7
44 1 5 2 29.485 58.969 0.319 6.0 8 21.3 28.0
45 3 1 0 29.734 59.469 0.322 5.89 4 29.9 27.1
46 0 4 3 29.848 59.695 0.323 5.84 4 52.7 83.2
47 2 5 0 30.272 60.545 0.327 5.66 4 6.8 1.4
48 1 6 1 30.395 60.791 0.328 5.61 8 1.2 0.1
49 3 0 1 30.47 60.94 0.329 5.58 4 23.5 15.9
50 3 1 1 30.855 61.71 0.333 5.42 8 22.4 28.1
51 3 2 0 30.898 61.795 0.333 5.41 4 28.9 23.1
52 2 1 3 31.045 62.09 0.335 5.35 8 25.1 34.5
53 2 4 2 31.256 62.511 0.337 5.27 8 28.0 42.3
54 2 5 1 31.382 62.763 0.338 5.22 8 29.8 47.7
55 0 0 4 31.476 62.951 0.339 5.19 2 135.7 245.2
56 1 4 3 31.588 63.176 0.34 5.15 8 10.5 5.8
57 0 6 2 31.976 63.952 0.344 5.01 4 115.5 343.6
58 3 2 1 31.994 63.989 0.344 5.01 8 14.1 10.2
59 2 2 3 32.18 64.361 0.346 4.95 8 17.6 15.7
60 3 3 0 32.783 65.565 0.351 4.75 4 32.0 24.9
61 0 2 4 32.974 65.947 0.353 4.69 4 20.6 10.3
62 1 1 4 33.535 67.07 0.359 4.53 8 4.1 0.8
63 1 6 2 33.654 67.308 0.36 4.49 8 9.5 4.2
64 3 3 1 33.846 67.692 0.362 4.44 8 38.2 66.4
65 2 3 3 34.027 68.054 0.363 4.39 8 3.9 0.7
66 3 1 2 34.09 68.18 0.364 4.37 8 39.1 68.7
67 1 7 0 34.18 68.36 0.365 4.35 4 64.5 93.0
68 2 6 0 34.388 68.776 0.367 4.3 4 11.8 3.1
69 2 5 2 34.59 69.18 0.369 4.25 8 10.4 4.7
70 1 2 4 34.627 69.254 0.369 4.24 8 9.2 3.7
71 1 5 3 34.906 69.812 0.371 4.17 8 12.1 6.3
72 3 2 2 35.174 70.348 0.374 4.1 8 64.7 176.3
73 1 7 1 35.223 70.446 0.374 4.09 8 13.6 7.7
74 3 4 0 35.332 70.664 0.375 4.07 4 56.2 66.0
75 2 6 1 35.428 70.856 0.376 4.04 8 14.9 9.2
76 3 4 1 36.36 72.721 0.385 3.84 8 31.7 39.7
77 1 3 4 36.414 72.827 0.385 3.83 8 45.0 79.6
78 2 4 3 36.536 73.071 0.386 3.81 8 20.5 16.4
79 3 3 2 36.949 73.898 0.39 3.73 8 4.0 0.6
80 0 6 3 37.206 74.411 0.393 3.68 4 46.2 40.4
81 0 4 4 37.285 74.57 0.393 3.67 4 8.9 1.5
82 0 8 0 37.903 75.805 0.399 3.56 2 8.9 0.7
83 2 0 4 38.018 76.035 0.4 3.54 4 29.9 16.2
84 1 7 2 38.279 76.558 0.402 3.5 8 16.7 10.0
85 2 1 4 38.365 76.73 0.403 3.49 8 20.3 14.8
86 2 6 2 38.478 76.956 0.404 3.47 8 18.0 11.5
87 3 5 0 38.5 76.999 0.404 3.46 4 18.3 6.0
88 1 6 3 38.781 77.562 0.407 3.42 8 18.5 12.0
89 3 0 3 38.848 77.696 0.407 3.41 4 37.5 24.6
90 1 4 4 38.86 77.719 0.407 3.41 8 23.7 19.6
91 0 8 1 38.905 77.811 0.408 3.4 4 17.0 5.1
92 2 7 0 38.977 77.954 0.408 3.39 4 18.7 6.1
93 3 1 3 39.193 78.387 0.41 3.36 8 11.5 4.6
94 3 4 2 39.384 78.767 0.412 3.34 8 20.6 14.5
95 2 2 4 39.402 78.805 0.412 3.33 8 1.3 0.1
96 1 8 0 39.469 78.938 0.413 3.32 4 12.5 2.7
97 3 5 1 39.498 78.995 0.413 3.32 8 5.9 1.2
98 2 5 3 39.668 79.337 0.414 3.3 8 29.1 28.7
99 2 7 1 39.972 79.943 0.417 3.26 8 13.6 6.1
100 3 2 3 40.225 80.449 0.419 3.23 8 5.8 1.1
101 1 8 1 40.461 80.921 0.421 3.2 8 9.9 3.2
102 4 0 0 40.793 81.587 0.424 3.16 2 73.4 43.7
103 2 3 4 41.115 82.231 0.427 3.13 8 19.7 12.5
104 4 1 0 41.135 82.269 0.427 3.12 4 7.6 0.9
105 0 8 2 41.874 83.747 0.433 3.05 4 22.1 7.7
106 3 3 3 41.93 83.86 0.434 3.04 8 33.2 34.5
107 1 5 4 41.941 83.883 0.434 3.04 8 27.7 23.9
108 0 2 5 42.105 84.211 0.435 3.03 4 37.3 21.6
109 4 1 1 42.118 84.236 0.435 3.03 8 10.2 3.3
110 4 2 0 42.155 84.31 0.436 3.02 4 0.8 0.0
111 3 6 0 42.267 84.535 0.437 3.01 4 0.1 0.0
112 1 0 5 42.283 84.566 0.437 3.01 4 29.5 13.5
113 3 5 2 42.457 84.914 0.438 3.0 8 36.4 40.8
114 1 1 5 42.622 85.245 0.44 2.98 8 7.3 1.6
115 2 7 2 42.924 85.849 0.442 2.96 8 29.0 25.5
116 4 2 1 43.135 86.27 0.444 2.94 8 8.5 2.2
117 1 7 3 43.221 86.442 0.445 2.94 8 15.0 6.8
118 3 6 1 43.247 86.494 0.445 2.94 8 32.7 32.2
119 1 8 2 43.408 86.815 0.446 2.92 8 25.8 20.0
120 2 6 3 43.415 86.829 0.446 2.92 8 15.9 7.6
121 2 4 4 43.491 86.983 0.447 2.92 8 39.2 46.1
122 1 2 5 43.638 87.276 0.448 2.91 8 1.5 0.1
123 4 3 0 43.849 87.698 0.45 2.89 4 22.8 7.7
124 2 8 0 44.089 88.178 0.452 2.88 4 42.5 26.7
125 0 6 4 44.135 88.27 0.452 2.88 4 15.1 3.4
126 3 4 3 44.301 88.602 0.453 2.87 8 35.8 37.8
127 4 0 2 44.714 89.427 0.457 2.84 4 4.5 0.3
128 4 3 1 44.825 89.651 0.458 2.84 8 3.2 0.3
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 0 2 0 8.834 17.669 5.0155 180.1 22.1 22.4 5.6
2 1 1 0 10.398 20.796 4.26786 23.2 2.8 2.9 5.6
3 0 2 1 11.628 23.256 3.82162 521.6 64.0 64.7 5.6
4 1 0 1 12.069 24.138 3.68404 185.3 22.7 23.0 5.6
5 1 1 1 12.87 25.74 3.45819 117.3 14.4 14.5 5.6
6 1 2 0 12.956 25.911 3.43572 120.3 14.8 14.9 5.6
7 1 2 1 15.036 30.072 2.96913 49.0 6.0 6.1 5.6
8 0 0 2 15.133 30.267 2.9505 146.8 18.0 18.1 5.6
9 1 3 0 16.403 32.807 2.72765 519.9 63.8 64.0 5.6
10 1 3 1 18.126 36.252 2.47594 660.2 81.0 81.0 5.7
11 1 1 2 18.505 37.009 2.42699 815.1 100.0 100.0 5.7
12 0 4 1 19.496 38.993 2.30798 109.1 13.4 13.4 5.7
13 2 1 0 19.607 39.215 2.29543 85.6 10.5 10.5 5.7
14 1 2 2 20.128 40.257 2.23838 344.1 42.2 42.1 5.7
15 1 4 0 20.358 40.716 2.21417 239.4 29.4 29.3 5.7
16 2 1 1 21.104 42.208 2.13928 168.2 20.6 20.5 5.7
17 1 3 2 22.618 45.236 2.00289 36.7 4.5 4.5 5.7
18 2 3 0 23.561 47.122 1.92702 30.9 3.8 3.7 5.7
19 0 4 2 23.773 47.546 1.91081 21.6 2.7 2.6 5.7
20 1 5 0 24.661 49.322 1.8461 53.4 6.5 6.5 5.7
21 2 0 2 24.719 49.438 1.84202 15.0 1.8 1.8 5.7
22 1 1 3 25.543 51.086 1.7864 29.4 3.6 3.5 5.8
23 1 5 1 25.925 51.849 1.76189 29.3 3.6 3.5 5.8
24 2 2 2 26.454 52.908 1.72909 555.1 68.1 66.9 5.8
25 2 4 0 26.641 53.282 1.71786 158.3 19.4 19.1 5.8
26 1 2 3 26.823 53.646 1.70703 37.5 4.6 4.5 5.8
27 2 4 1 27.84 55.681 1.64939 120.5 14.8 14.5 5.8
28 2 3 2 28.518 57.035 1.61339 31.0 3.8 3.7 5.8
29 0 6 1 28.612 57.224 1.60852 111.0 13.6 13.3 5.8
30 1 3 3 28.869 57.737 1.59543 166.4 20.4 19.9 5.8
31 1 6 0 29.264 58.528 1.57575 9.7 1.2 1.2 5.8
32 1 5 2 29.485 58.969 1.565 28.0 3.4 3.3 5.8
33 3 1 0 29.734 59.469 1.55304 27.1 3.3 3.2 5.8
34 0 4 3 29.848 59.695 1.5477 83.2 10.2 9.9 5.8
35 3 0 1 30.47 60.94 1.51902 15.9 1.9 1.9 5.8
36 3 1 1 30.855 61.71 1.5019 28.1 3.4 3.3 5.8
37 3 2 0 30.898 61.795 1.50005 23.1 2.8 2.8 5.8
38 2 1 3 31.045 62.09 1.49362 34.5 4.2 4.1 5.8
39 2 4 2 31.256 62.511 1.48457 42.3 5.2 5.0 5.8
40 2 5 1 31.382 62.763 1.47921 47.7 5.8 5.7 5.9
41 0 0 4 31.476 62.951 1.47525 245.2 30.1 29.1 5.9
42 0 6 2 31.976 63.952 1.45456 353.9 43.4 42.0 5.9
43 2 2 3 32.18 64.361 1.4463 15.7 1.9 1.9 5.9
44 3 3 0 32.783 65.565 1.42262 24.9 3.1 3.0 5.9
45 0 2 4 32.974 65.947 1.4153 10.3 1.3 1.2 5.9
46 3 3 1 33.846 67.692 1.383 66.4 8.1 7.8 5.9
47 3 1 2 34.09 68.18 1.37429 68.7 8.4 8.1 5.9
48 1 7 0 34.18 68.36 1.3711 93.0 11.4 11.0 5.9
49 3 2 2 35.174 70.348 1.33716 176.3 21.6 20.7 5.9
50 3 4 0 35.332 70.664 1.33194 66.0 8.1 7.7 5.9
51 2 6 1 35.428 70.856 1.3288 9.2 1.1 1.1 5.9
52 3 4 1 36.36 72.721 1.29926 39.7 4.9 4.6 6.0
53 1 3 4 36.414 72.827 1.29762 79.6 9.8 9.3 6.0
54 2 4 3 36.536 73.071 1.29388 16.4 2.0 1.9 6.0
55 0 6 3 37.206 74.411 1.27387 40.4 5.0 4.7 6.0
56 2 0 4 38.018 76.035 1.25065 16.2 2.0 1.9 6.0
57 1 7 2 38.279 76.558 1.2434 10.0 1.2 1.2 6.0
58 2 1 4 38.365 76.73 1.24104 14.8 1.8 1.7 6.0
59 2 6 2 38.478 76.956 1.23797 17.5 2.1 2.0 6.0
60 1 6 3 38.781 77.562 1.2298 12.0 1.5 1.4 6.0
61 3 0 3 38.848 77.696 1.22801 44.2 5.4 5.1 6.0
62 3 4 2 39.384 78.767 1.21398 14.6 1.8 1.7 6.0
63 2 5 3 39.668 79.337 1.20669 28.7 3.5 3.3 6.0
64 4 0 0 40.793 81.587 1.179 43.7 5.4 5.0 6.1
65 2 3 4 41.115 82.231 1.17139 13.4 1.6 1.5 6.1
66 3 3 3 41.93 83.86 1.15273 58.4 7.2 6.7 6.1
67 0 2 5 42.105 84.211 1.14882 24.9 3.1 2.8 6.1
68 1 0 5 42.283 84.566 1.14489 13.5 1.7 1.5 6.1
69 3 5 2 42.457 84.914 1.14109 40.8 5.0 4.6 6.1
70 2 7 2 42.924 85.849 1.13105 25.5 3.1 2.9 6.1
71 3 6 1 43.247 86.494 1.12426 39.0 4.8 4.4 6.1
72 1 8 2 43.408 86.815 1.12092 27.6 3.4 3.1 6.1
73 2 4 4 43.491 86.983 1.11919 46.1 5.7 5.2 6.1
74 2 8 0 44.089 88.178 1.10709 26.7 3.3 3.0 6.2
75 3 4 3 44.301 88.602 1.10288 37.8 4.6 4.3 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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