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
43, t-olivine, analogue, at 0.23 GPa
LiScSiO(4)
Orthorhombic P bnm Z = 4
R =0.037 NR =184
18 .11 .1996
Ref.Str.:
Hazen R.M., Downs R.T., Finger L.W. (1996)
* Amer. Mineral., 81, 327-334
Reserv:
In original - olivine[29]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.819 alpha = 90.0
b = 10.4333 beta = 90.0
c = 5.9672 gamma = 90.0
Unit cell volume (cub. angs.) = 300.02
Molar volume ( cub.cm/mol.) = 45.18
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 1.3 Li = 1.00
2 0.9917 0.2746 0.25 0.37 Sc = 1.00
3 0.4321 0.091 0.25 0.48 Si = 1.00
4 0.7628 0.1002 0.25 0.62 O = 1.00
5 0.2002 0.4477 0.25 0.48 O = 1.00
6 0.2827 0.1684 0.0392 0.44 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 0.2746 0.25
3 3 0.4321 0.091 0.25
4 4 0.7628 0.1002 0.25
5 5 0.2002 0.4477 0.25
6 6 0.2827 0.1684 0.0392
7 2 0.0083 0.7254 0.75
8 3 0.5679 0.909 0.75
9 4 0.2372 0.8998 0.75
10 5 0.7998 0.5523 0.75
11 6 0.7173 0.8316 0.9608
12 1 0.0 0.0 0.5
13 6 0.7173 0.8316 0.5392
14 6 0.2827 0.1684 0.4608
15 1 0.5 0.5 0.0
16 2 0.5083 0.7746 0.25
17 3 0.0679 0.591 0.25
18 4 0.7372 0.6002 0.25
19 5 0.2998 0.9477 0.25
20 6 0.2173 0.6684 0.0392
21 2 0.4917 0.2254 0.75
22 3 0.9321 0.409 0.75
23 4 0.2628 0.3998 0.75
24 5 0.7002 0.0523 0.75
25 6 0.7827 0.3316 0.9608
26 1 0.5 0.5 0.5
27 6 0.7827 0.3316 0.5392
28 6 0.2173 0.6684 0.4608
X-ray density (g/cm cub.) = 3.19
MU (1/cm) = 237.157 Mass attenuation coefficient (cm**2/g) = 74.423
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 6
2.1506 4
2.2355 6
2.1506 4
2.2355 6
2.1472 5
2.1472 5
2 Sc 2.628 6
2.1278 4
2.0667 5
2.1855 6
2.1855 6
2.0847 6
2.0847 6
3 Si 2.1 4
1.5965 4
1.6591 6
1.6591 6
1.6254 5
4 O 3.264 10
2.8923 6
2.7279 6
2.8923 6
2.7279 6
3.0378 5
2.7404 5
3.0402 5
3.0402 5
2.9692 6
2.9692 6
5 O 3.264 10
3.1987 6
3.1987 6
3.0378 4
2.7404 4
2.6251 6
3.0402 4
3.0402 4
2.9143 6
2.9143 6
2.6251 6
6 O 3.264 9
2.7279 4
2.8923 4
3.1987 5
2.5158 6
2.6251 5
2.9692 4
2.9143 5
2.9873 6
2.9873 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 8.491 16.982 0.096 88.79 2 40.2 319.0
2 1 1 0 10.141 20.282 0.114 61.6 4 51.3 721.5
3 0 2 1 11.311 22.621 0.127 49.1 4 41.2 370.7
4 1 0 1 11.856 23.713 0.133 44.5 4 26.9 143.0
5 1 2 0 12.568 25.137 0.141 39.37 4 21.8 83.0
6 1 1 1 12.61 25.221 0.142 39.09 8 47.2 774.0
7 1 2 1 14.656 29.312 0.164 28.42 8 15.5 60.4
8 0 0 2 14.962 29.923 0.168 27.19 2 105.5 672.7
9 1 3 0 15.851 31.703 0.177 24.02 4 45.9 224.8
10 0 4 0 17.176 34.353 0.192 20.18 2 2.6 0.3
11 0 2 2 17.302 34.605 0.193 19.86 4 3.4 1.0
12 1 3 1 17.584 35.168 0.196 19.17 8 82.7 1166.3
13 1 1 2 18.21 36.419 0.203 17.76 8 46.7 343.9
14 2 0 0 18.644 37.288 0.208 16.86 2 12.6 6.0
15 0 4 1 18.802 37.604 0.209 16.55 4 45.8 154.4
16 2 1 0 19.153 38.307 0.213 15.89 4 34.4 83.8
17 1 4 0 19.621 39.242 0.218 15.06 4 58.0 225.6
18 1 2 2 19.734 39.467 0.219 14.87 8 47.7 301.1
19 2 2 0 20.618 41.236 0.229 13.49 4 38.0 86.4
20 2 1 1 20.645 41.29 0.229 13.45 8 38.2 174.2
21 1 4 1 21.085 42.17 0.234 12.83 8 4.1 1.9
22 2 2 1 22.028 44.055 0.243 11.63 8 11.2 13.0
23 1 3 2 22.076 44.153 0.244 11.57 8 12.8 16.9
24 2 3 0 22.887 45.774 0.252 10.67 4 14.4 9.8
25 0 4 2 23.095 46.19 0.255 10.45 4 20.3 19.1
26 1 5 0 23.72 47.44 0.261 9.84 4 6.3 1.8
27 2 3 1 24.191 48.382 0.266 9.41 8 0.1 0.0
28 2 0 2 24.262 48.525 0.267 9.35 4 66.6 184.3
29 0 2 3 24.485 48.97 0.269 9.15 4 0.6 0.0
30 2 1 2 24.676 49.353 0.271 8.99 8 6.9 3.8
31 1 0 3 24.768 49.536 0.272 8.92 4 12.4 6.1
32 1 5 1 24.991 49.981 0.274 8.74 8 35.5 97.8
33 1 4 2 25.06 50.121 0.275 8.68 8 9.7 7.2
34 1 1 3 25.176 50.352 0.276 8.59 8 41.3 130.3
35 2 4 0 25.799 51.598 0.283 8.13 4 56.9 117.1
36 2 2 2 25.89 51.779 0.283 8.06 8 74.9 402.3
37 0 6 0 26.294 52.588 0.288 7.78 2 43.2 32.3
38 1 2 3 26.373 52.745 0.288 7.73 8 27.0 50.0
39 2 4 1 26.998 53.995 0.295 7.33 8 55.0 197.0
40 0 6 1 27.477 54.955 0.3 7.04 4 72.3 163.5
41 2 3 2 27.827 55.654 0.303 6.84 8 14.6 13.0
42 1 6 0 28.095 56.189 0.306 6.69 4 4.3 0.6
43 1 3 3 28.287 56.575 0.308 6.59 8 67.4 265.9
44 1 5 2 28.554 57.108 0.31 6.45 8 8.8 4.5
45 3 1 0 29.024 58.048 0.315 6.22 4 7.5 1.5
46 0 4 3 29.144 58.289 0.316 6.16 4 63.7 111.0
47 1 6 1 29.229 58.458 0.317 6.12 8 2.4 0.3
48 2 5 0 29.231 58.462 0.317 6.12 4 8.6 2.0
49 3 0 1 29.775 59.55 0.322 5.87 4 22.2 12.9
50 3 2 0 30.116 60.231 0.326 5.72 4 27.6 19.3
51 3 1 1 30.136 60.272 0.326 5.72 8 38.5 75.4
52 2 5 1 30.338 60.676 0.328 5.63 8 27.2 37.1
53 2 4 2 30.399 60.799 0.328 5.61 8 16.8 14.1
54 2 1 3 30.501 61.003 0.329 5.56 8 24.9 30.6
55 1 4 3 30.835 61.67 0.333 5.43 8 13.0 8.2
56 0 6 2 30.845 61.69 0.333 5.43 4 103.9 260.4
57 0 0 4 31.087 62.174 0.335 5.33 2 124.9 185.0
58 3 2 1 31.204 62.408 0.336 5.29 8 19.4 17.7
59 2 2 3 31.562 63.124 0.34 5.16 8 13.3 8.1
60 3 3 0 31.884 63.769 0.343 5.05 4 17.2 6.6
61 0 2 4 32.482 64.965 0.349 4.85 4 18.2 7.1
62 1 6 2 32.483 64.967 0.349 4.85 8 7.2 2.2
63 1 7 0 32.749 65.498 0.351 4.76 4 61.6 80.2
64 3 3 1 32.939 65.879 0.353 4.7 8 59.4 147.3
65 1 1 4 33.061 66.123 0.354 4.67 8 29.3 35.7
66 2 6 0 33.112 66.225 0.355 4.65 4 50.0 51.8
67 2 3 3 33.287 66.575 0.356 4.6 8 9.5 3.7
68 3 1 2 33.339 66.678 0.357 4.58 8 17.5 12.5
69 2 5 2 33.53 67.06 0.359 4.53 8 9.6 3.7
70 1 7 1 33.79 67.579 0.361 4.46 8 0.9 0.0
71 1 5 3 33.944 67.887 0.362 4.41 8 24.4 23.3
72 1 2 4 34.078 68.156 0.364 4.38 8 4.3 0.7
73 2 6 1 34.148 68.295 0.364 4.36 8 23.3 21.0
74 3 4 0 34.275 68.55 0.366 4.33 4 50.0 48.1
75 3 2 2 34.352 68.703 0.366 4.31 8 59.2 134.1
76 3 4 1 35.294 70.588 0.375 4.08 8 32.5 38.3
77 2 4 3 35.631 71.262 0.378 4.0 8 27.6 27.0
78 1 3 4 35.742 71.484 0.379 3.97 8 27.1 26.0
79 3 3 2 36.01 72.02 0.382 3.92 8 33.7 39.5
80 0 6 3 36.042 72.085 0.382 3.91 4 60.4 63.3
81 0 8 0 36.202 72.404 0.383 3.88 2 6.5 0.4
82 0 4 4 36.5 73.001 0.386 3.82 4 6.7 0.8
83 1 7 2 36.827 73.655 0.389 3.75 8 52.4 91.6
84 2 6 2 37.172 74.345 0.392 3.69 8 14.5 6.9
85 0 8 1 37.198 74.396 0.392 3.68 4 1.3 0.0
86 3 5 0 37.24 74.48 0.393 3.68 4 6.6 0.7
87 2 0 4 37.394 74.788 0.394 3.65 4 30.5 15.0
88 2 7 0 37.422 74.845 0.394 3.64 4 16.3 4.3
89 1 6 3 37.568 75.137 0.396 3.62 8 20.3 13.2
90 2 1 4 37.717 75.435 0.397 3.59 8 18.8 11.3
91 1 8 0 37.725 75.451 0.397 3.59 4 10.3 1.7
92 1 4 4 38.02 76.039 0.4 3.54 8 20.4 13.1
93 3 0 3 38.052 76.103 0.4 3.54 4 36.9 21.4
94 3 5 1 38.226 76.453 0.402 3.51 8 14.2 6.3
95 3 4 2 38.281 76.563 0.402 3.5 8 14.5 6.6
96 3 1 3 38.373 76.746 0.403 3.48 8 22.3 15.4
97 2 7 1 38.407 76.814 0.403 3.48 8 13.8 5.9
98 2 5 3 38.553 77.107 0.405 3.46 8 28.3 24.5
99 2 2 4 38.681 77.363 0.406 3.44 8 30.4 28.2
100 1 8 1 38.708 77.415 0.406 3.43 8 18.0 9.9
101 3 2 3 39.332 78.664 0.411 3.34 8 8.3 2.1
102 4 0 0 39.745 79.49 0.415 3.29 2 66.4 32.2
103 4 1 0 40.062 80.124 0.418 3.25 4 9.8 1.4
104 0 8 2 40.135 80.27 0.418 3.24 4 9.9 1.4
105 2 3 4 40.273 80.545 0.42 3.22 8 12.6 4.5
106 3 6 0 40.754 81.509 0.424 3.17 4 3.8 0.2
107 1 5 4 40.885 81.77 0.425 3.15 8 1.3 0.0
108 3 3 3 40.916 81.833 0.425 3.15 8 50.1 70.3
109 4 2 0 41.011 82.021 0.426 3.14 4 34.8 16.9
110 4 1 1 41.029 82.057 0.426 3.14 8 7.0 1.4
111 3 5 2 41.142 82.284 0.427 3.12 8 26.6 19.7
112 2 7 2 41.319 82.639 0.429 3.1 8 29.6 24.2
113 0 2 5 41.46 82.921 0.43 3.09 4 32.5 14.5
114 1 8 2 41.614 83.229 0.431 3.07 8 22.6 13.9
115 1 0 5 41.677 83.353 0.432 3.07 4 27.8 10.5
116 1 7 3 41.704 83.408 0.432 3.07 8 4.7 0.6
117 3 6 1 41.718 83.435 0.432 3.06 8 30.1 24.7
118 4 2 1 41.973 83.945 0.434 3.04 8 4.4 0.5
119 1 1 5 41.991 83.982 0.434 3.04 8 21.9 13.0
120 2 6 3 42.038 84.076 0.435 3.03 8 20.3 11.1
121 2 8 0 42.191 84.381 0.436 3.02 4 28.3 10.7
122 2 4 4 42.477 84.954 0.438 3.0 8 33.0 29.0
123 4 3 0 42.582 85.164 0.439 2.99 4 24.0 7.7
124 0 6 4 42.869 85.737 0.442 2.96 4 43.7 25.1
125 1 2 5 42.932 85.863 0.442 2.96 8 1.2 0.0
126 1 9 0 43.111 86.222 0.444 2.95 4 34.4 15.5
127 3 4 3 43.115 86.23 0.444 2.95 8 34.9 31.9
128 2 8 1 43.148 86.297 0.444 2.94 8 26.9 19.0
129 4 3 1 43.539 87.078 0.447 2.91 8 0.9 0.0
130 4 0 2 43.593 87.185 0.448 2.91 4 28.8 10.7
131 4 1 2 43.905 87.81 0.45 2.89 8 33.2 28.4
132 1 9 1 44.067 88.134 0.451 2.88 8 27.5 19.4
133 1 6 4 44.334 88.669 0.454 2.86 8 3.7 0.3
134 1 3 5 44.495 88.99 0.455 2.86 8 51.3 66.8
135 3 6 2 44.589 89.178 0.456 2.85 8 1.6 0.1
136 4 4 0 44.771 89.542 0.457 2.84 4 21.7 5.9
137 3 7 0 44.83 89.66 0.458 2.84 4 39.5 19.7
138 4 2 2 44.842 89.685 0.458 2.84 8 27.0 18.4
139 0 8 3 44.932 89.864 0.458 2.83 4 15.1 2.9
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 8.491 16.982 5.21665 319.0 27.4 27.7 5.6
2 1 1 0 10.141 20.282 4.37488 721.5 61.9 62.6 5.6
3 0 2 1 11.311 22.621 3.92745 370.7 31.8 32.1 5.6
4 1 0 1 11.856 23.713 3.7491 143.0 12.3 12.4 5.6
5 1 2 0 12.568 25.137 3.53979 83.0 7.1 7.2 5.6
6 1 1 1 12.61 25.221 3.52822 774.0 66.4 66.9 5.6
7 1 2 1 14.656 29.312 3.04443 60.4 5.2 5.2 5.6
8 0 0 2 14.962 29.923 2.9836 672.7 57.7 57.9 5.6
9 1 3 0 15.851 31.703 2.82008 224.8 19.3 19.3 5.6
10 1 3 1 17.584 35.168 2.54969 1166.3 100.0 100.0 5.7
11 1 1 2 18.21 36.419 2.46494 343.9 29.5 29.5 5.7
12 0 4 1 18.802 37.604 2.38998 154.4 13.2 13.2 5.7
13 2 1 0 19.153 38.307 2.34771 83.8 7.2 7.2 5.7
14 1 4 0 19.621 39.242 2.29387 225.6 19.3 19.3 5.7
15 1 2 2 19.734 39.467 2.28132 301.1 25.8 25.7 5.7
16 2 1 1 20.645 41.29 2.1847 260.6 22.3 22.2 5.7
17 2 2 1 22.028 44.055 2.05379 13.0 1.1 1.1 5.7
18 1 3 2 22.076 44.153 2.04947 16.9 1.4 1.4 5.7
19 0 4 2 23.095 46.19 1.96372 19.1 1.6 1.6 5.7
20 2 0 2 24.262 48.525 1.87455 184.3 15.8 15.6 5.7
21 1 5 1 24.991 49.981 1.82328 97.8 8.4 8.3 5.7
22 1 1 3 25.176 50.352 1.8107 130.3 11.2 11.0 5.8
23 2 4 0 25.799 51.598 1.76989 117.1 10.0 9.9 5.8
24 2 2 2 25.89 51.779 1.76411 402.3 34.5 33.9 5.8
25 0 6 0 26.294 52.588 1.73888 32.3 2.8 2.7 5.8
26 1 2 3 26.373 52.745 1.73405 50.0 4.3 4.2 5.8
27 2 4 1 26.998 53.995 1.69683 197.0 16.9 16.5 5.8
28 0 6 1 27.477 54.955 1.66944 163.5 14.0 13.7 5.8
29 2 3 2 27.827 55.654 1.65011 13.0 1.1 1.1 5.8
30 1 3 3 28.287 56.575 1.62543 265.9 22.8 22.3 5.8
31 0 4 3 29.144 58.289 1.58165 111.0 9.5 9.3 5.8
32 3 0 1 29.775 59.55 1.55112 12.9 1.1 1.1 5.8
33 3 1 1 30.136 60.272 1.53425 94.8 8.1 7.9 5.8
34 2 5 1 30.338 60.676 1.52499 37.1 3.2 3.1 5.8
35 2 4 2 30.399 60.799 1.52221 14.1 1.2 1.2 5.8
36 2 1 3 30.501 61.003 1.51761 30.6 2.6 2.5 5.8
37 0 6 2 30.845 61.69 1.50235 268.6 23.0 22.3 5.8
38 0 0 4 31.087 62.174 1.4918 185.0 15.9 15.4 5.8
39 3 2 1 31.204 62.408 1.48678 17.7 1.5 1.5 5.8
40 1 7 0 32.749 65.498 1.42392 80.2 6.9 6.6 5.9
41 3 3 1 32.939 65.879 1.4166 147.3 12.6 12.2 5.9
42 1 1 4 33.061 66.123 1.41197 35.7 3.1 2.9 5.9
43 2 6 0 33.112 66.225 1.41004 51.8 4.4 4.3 5.9
44 3 1 2 33.339 66.678 1.40155 12.5 1.1 1.0 5.9
45 1 5 3 33.944 67.887 1.3795 23.3 2.0 1.9 5.9
46 2 6 1 34.148 68.295 1.37225 21.0 1.8 1.7 5.9
47 3 4 0 34.275 68.55 1.36776 48.1 4.1 4.0 5.9
48 3 2 2 34.352 68.703 1.36509 134.1 11.5 11.0 5.9
49 3 4 1 35.294 70.588 1.33319 38.3 3.3 3.1 5.9
50 2 4 3 35.631 71.262 1.32223 27.0 2.3 2.2 5.9
51 1 3 4 35.742 71.484 1.31866 26.0 2.2 2.1 5.9
52 3 3 2 36.01 72.02 1.31017 39.5 3.4 3.2 5.9
53 0 6 3 36.042 72.085 1.30915 63.3 5.4 5.2 5.9
54 1 7 2 36.827 73.655 1.28507 91.6 7.9 7.5 6.0
55 2 0 4 37.394 74.788 1.26838 19.4 1.7 1.6 6.0
56 1 6 3 37.568 75.137 1.26336 13.2 1.1 1.1 6.0
57 2 1 4 37.717 75.435 1.25911 13.0 1.1 1.1 6.0
58 1 4 4 38.02 76.039 1.25059 13.1 1.1 1.1 6.0
59 3 0 3 38.052 76.103 1.2497 21.4 1.8 1.7 6.0
60 3 1 3 38.373 76.746 1.24083 15.4 1.3 1.2 6.0
61 2 5 3 38.553 77.107 1.23592 24.5 2.1 2.0 6.0
62 2 2 4 38.681 77.363 1.23247 38.0 3.3 3.1 6.0
63 4 0 0 39.745 79.49 1.20475 32.2 2.8 2.6 6.0
64 3 3 3 40.916 81.833 1.17607 70.3 6.0 5.6 6.1
65 4 2 0 41.011 82.021 1.17385 18.3 1.6 1.5 6.1
66 3 5 2 41.142 82.284 1.17077 19.7 1.7 1.6 6.1
67 2 7 2 41.319 82.639 1.16664 24.2 2.1 1.9 6.1
68 0 2 5 41.46 82.921 1.16338 14.5 1.2 1.2 6.1
69 1 8 2 41.614 83.229 1.15986 13.9 1.2 1.1 6.1
70 3 6 1 41.718 83.435 1.15752 24.7 2.1 2.0 6.1
71 1 1 5 41.991 83.982 1.15137 13.0 1.1 1.0 6.1
72 2 4 4 42.477 84.954 1.14066 29.0 2.5 2.3 6.1
73 0 6 4 42.869 85.737 1.13223 25.1 2.2 2.0 6.1
74 3 4 3 43.115 86.23 1.12702 47.5 4.1 3.8 6.1
75 2 8 1 43.148 86.297 1.12632 19.0 1.6 1.5 6.1
76 4 1 2 43.905 87.81 1.11077 28.4 2.4 2.2 6.2
77 1 9 1 44.067 88.134 1.10752 19.4 1.7 1.5 6.2
78 1 3 5 44.495 88.99 1.09907 66.8 5.7 5.2 6.2
79 3 7 0 44.83 89.66 1.09259 38.1 3.3 3.0 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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