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
49, t-olivine, analogue, at 4.51 GPa
LiScSiO(4)
Orthorhombic P bnm Z = 4
R =0.043 NR =173
19 .11 .1996
Ref.Str.:
Hazen R.M., Downs R.T., Finger L.W. (1996)
* Amer. Mineral., 81, 327-334
Reserv:
In original - olivine[35]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7611 alpha = 90.0
b = 10.3072 beta = 90.0
c = 5.9006 gamma = 90.0
Unit cell volume (cub. angs.) = 289.56
Molar volume ( cub.cm/mol.) = 43.6
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 1.1 Li = 1.00
2 0.9876 0.2736 0.25 0.35 Sc = 1.00
3 0.4281 0.0885 0.25 0.39 Si = 1.00
4 0.762 0.0977 0.25 0.55 O = 1.00
5 0.206 0.445 0.25 0.74 O = 1.00
6 0.2759 0.167 0.0382 0.47 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 0.9876 0.2736 0.25
3 3 0.4281 0.0885 0.25
4 4 0.762 0.0977 0.25
5 5 0.206 0.445 0.25
6 6 0.2759 0.167 0.0382
7 2 0.0124 0.7264 0.75
8 3 0.5719 0.9115 0.75
9 4 0.238 0.9023 0.75
10 5 0.794 0.555 0.75
11 6 0.7241 0.833 0.9618
12 1 0.0 0.0 0.5
13 6 0.7241 0.833 0.5382
14 6 0.2759 0.167 0.4618
15 1 0.5 0.5 0.0
16 2 0.5124 0.7736 0.25
17 3 0.0719 0.5885 0.25
18 4 0.738 0.5977 0.25
19 5 0.294 0.945 0.25
20 6 0.2241 0.667 0.0382
21 2 0.4876 0.2264 0.75
22 3 0.9281 0.4115 0.75
23 4 0.262 0.4023 0.75
24 5 0.706 0.055 0.75
25 6 0.7759 0.333 0.9618
26 1 0.5 0.5 0.5
27 6 0.7759 0.333 0.5382
28 6 0.2241 0.667 0.4618
X-ray density (g/cm cub.) = 3.3
MU (1/cm) = 245.72 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
2.1152 4
2.177 6
2.1152 4
2.177 6
2.1111 5
2.1111 5
2 Sc 2.628 6
2.1073 4
2.05 5
2.1571 6
2.1571 6
2.0695 6
2.0695 6
3 Si 2.1 4
1.5926 4
1.6558 6
1.6558 6
1.611 5
4 O 3.264 12
2.8388 6
2.7255 6
3.22 6
3.22 6
2.8388 6
2.7255 6
2.9821 5
2.728 5
2.9948 5
2.9948 5
2.9628 6
2.9628 6
5 O 3.264 10
3.1437 6
3.1437 6
2.9821 4
2.728 4
2.6087 6
2.9948 4
2.9948 4
2.9013 6
2.9013 6
2.6087 6
6 O 3.264 10
2.7255 4
2.8388 4
3.1437 5
3.22 4
2.4995 6
2.6087 5
2.9628 4
2.9013 5
2.9661 6
2.9661 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 8.596 17.192 0.097 86.59 2 37.9 296.8
2 1 1 0 10.266 20.531 0.116 60.06 4 48.7 679.2
3 0 2 1 11.446 22.892 0.129 47.9 4 40.3 370.4
4 1 0 1 11.998 23.997 0.135 43.4 4 26.0 139.4
5 1 2 0 12.724 25.449 0.143 38.36 4 23.1 97.7
6 1 1 1 12.762 25.525 0.143 38.12 8 48.0 838.4
7 1 2 1 14.835 29.67 0.166 27.69 8 17.1 76.9
8 0 0 2 15.134 30.269 0.169 26.53 2 104.8 695.1
9 1 3 0 16.05 32.1 0.179 23.38 4 41.7 194.3
10 0 4 0 17.393 34.787 0.194 19.64 2 1.8 0.1
11 0 2 2 17.508 35.016 0.195 19.36 4 3.1 0.9
12 1 3 1 17.803 35.606 0.198 18.66 8 83.4 1238.4
13 1 1 2 18.428 36.856 0.205 17.3 8 46.2 351.8
14 2 0 0 18.879 37.758 0.21 16.4 2 9.1 3.2
15 0 4 1 19.038 38.075 0.212 16.1 4 47.5 173.4
16 2 1 0 19.396 38.791 0.216 15.45 4 34.7 88.5
17 1 4 0 19.871 39.742 0.221 14.65 4 57.8 233.6
18 1 2 2 19.973 39.947 0.222 14.48 8 47.4 309.8
19 2 2 0 20.881 41.762 0.231 13.11 4 38.2 91.1
20 2 1 1 20.905 41.811 0.232 13.08 8 37.0 170.8
21 1 4 1 21.353 42.705 0.236 12.47 8 0.8 0.1
22 2 2 1 22.308 44.615 0.246 11.3 8 11.1 13.2
23 1 3 2 22.35 44.701 0.247 11.25 8 12.3 16.3
24 2 3 0 23.182 46.364 0.256 10.36 4 14.3 10.1
25 0 4 2 23.384 46.768 0.258 10.16 4 22.9 25.4
26 1 5 0 24.028 48.056 0.264 9.55 4 4.4 0.9
27 2 3 1 24.503 49.005 0.269 9.14 8 2.1 0.4
28 2 0 2 24.568 49.136 0.27 9.08 4 65.2 184.3
29 0 2 3 24.783 49.566 0.272 8.91 4 0.9 0.0
30 2 1 2 24.988 49.977 0.274 8.74 8 12.1 12.3
31 1 0 3 25.07 50.141 0.275 8.67 4 12.5 6.5
32 1 5 1 25.315 50.63 0.278 8.48 8 33.1 88.9
33 1 4 2 25.379 50.758 0.278 8.44 8 9.0 6.5
34 1 1 3 25.485 50.969 0.279 8.36 8 40.4 129.9
35 2 4 0 26.137 52.274 0.286 7.89 4 60.4 137.5
36 2 2 2 26.22 52.44 0.287 7.83 8 74.8 418.0
37 0 6 0 26.641 53.281 0.291 7.55 2 47.7 41.0
38 1 2 3 26.7 53.4 0.292 7.52 8 27.3 53.4
39 2 4 1 27.352 54.704 0.298 7.11 8 53.0 190.4
40 0 6 1 27.84 55.681 0.303 6.83 4 65.9 141.5
41 2 3 2 28.188 56.376 0.307 6.64 8 14.0 12.4
42 1 6 0 28.469 56.939 0.309 6.5 4 4.2 0.5
43 1 3 3 28.645 57.291 0.311 6.41 8 67.8 280.7
44 1 5 2 28.927 57.854 0.314 6.27 8 8.9 4.8
45 3 1 0 29.411 58.823 0.319 6.04 4 6.9 1.4
46 0 4 3 29.517 59.033 0.32 5.99 4 63.9 116.7
47 1 6 1 29.62 59.239 0.321 5.94 8 1.5 0.1
48 2 5 0 29.623 59.246 0.321 5.94 4 1.2 0.0
49 3 0 1 30.173 60.345 0.326 5.7 4 18.3 9.1
50 3 2 0 30.521 61.042 0.33 5.56 4 27.7 20.4
51 3 1 1 30.54 61.079 0.33 5.55 8 38.6 78.8
52 2 5 1 30.746 61.492 0.332 5.47 8 29.9 46.7
53 2 4 2 30.802 61.605 0.332 5.44 8 17.8 16.5
54 2 1 3 30.896 61.791 0.333 5.41 8 25.3 32.9
55 1 4 3 31.236 62.472 0.337 5.28 8 10.9 6.0
56 0 6 2 31.256 62.512 0.337 5.27 4 107.4 290.2
57 0 0 4 31.478 62.956 0.339 5.19 2 124.5 192.0
58 3 2 1 31.625 63.25 0.34 5.14 8 23.8 27.8
59 2 2 3 31.974 63.949 0.344 5.01 8 13.3 8.5
60 3 3 0 32.319 64.639 0.347 4.9 4 17.3 7.0
61 0 2 4 32.898 65.795 0.353 4.72 4 17.4 6.8
62 1 6 2 32.923 65.845 0.353 4.71 8 4.2 0.8
63 1 7 0 33.201 66.401 0.355 4.62 4 62.5 86.1
64 3 3 1 33.391 66.781 0.357 4.57 8 55.6 134.9
65 1 1 4 33.487 66.974 0.358 4.54 8 28.2 34.5
66 2 6 0 33.57 67.14 0.359 4.52 4 49.1 52.0
67 2 3 3 33.73 67.46 0.36 4.47 8 8.9 3.4
68 3 1 2 33.791 67.582 0.361 4.46 8 15.4 10.1
69 2 5 2 33.987 67.974 0.363 4.4 8 13.2 7.3
70 1 7 1 34.258 68.516 0.365 4.33 8 3.1 0.4
71 1 5 3 34.399 68.798 0.367 4.29 8 23.2 22.0
72 1 2 4 34.522 69.044 0.368 4.26 8 5.7 1.3
73 2 6 1 34.621 69.243 0.369 4.24 8 21.0 17.9
74 3 4 0 34.752 69.504 0.37 4.2 4 52.2 54.6
75 3 2 2 34.822 69.644 0.371 4.19 8 62.0 153.7
76 3 4 1 35.788 71.576 0.38 3.96 8 33.2 41.8
77 2 4 3 36.117 72.233 0.383 3.89 8 26.3 25.6
78 1 3 4 36.217 72.434 0.384 3.87 8 25.1 23.4
79 3 3 2 36.511 73.023 0.386 3.81 8 28.3 29.0
80 0 6 3 36.537 73.074 0.386 3.81 4 53.7 52.5
81 0 8 0 36.717 73.433 0.388 3.77 2 8.0 0.6
82 0 4 4 36.99 73.981 0.391 3.72 4 7.5 1.0
83 1 7 2 37.346 74.693 0.394 3.66 8 52.7 96.8
84 2 6 2 37.697 75.395 0.397 3.59 8 13.1 5.9
85 0 8 1 37.73 75.46 0.397 3.59 4 0.4 0.0
86 3 5 0 37.773 75.546 0.398 3.58 4 9.8 1.6
87 2 0 4 37.901 75.802 0.399 3.56 4 28.5 13.8
88 2 7 0 37.96 75.92 0.399 3.55 4 17.2 5.0
89 1 6 3 38.092 76.185 0.4 3.53 8 20.3 13.8
90 2 1 4 38.23 76.461 0.402 3.51 8 20.4 13.9
91 1 8 0 38.27 76.539 0.402 3.5 4 11.5 2.2
92 1 4 4 38.539 77.079 0.404 3.46 8 20.2 13.4
93 3 0 3 38.584 77.167 0.405 3.45 4 34.6 19.7
94 3 5 1 38.777 77.554 0.407 3.42 8 16.2 8.6
95 3 4 2 38.827 77.654 0.407 3.41 8 15.1 7.4
96 3 1 3 38.911 77.823 0.408 3.4 8 24.8 19.9
97 2 7 1 38.962 77.925 0.408 3.39 8 14.6 7.0
98 2 5 3 39.097 78.193 0.409 3.38 8 29.3 27.6
99 2 2 4 39.214 78.428 0.41 3.36 8 29.8 28.5
100 1 8 1 39.27 78.539 0.411 3.35 8 18.4 10.9
101 3 2 3 39.89 79.78 0.416 3.27 8 12.2 4.6
102 4 0 0 40.327 80.653 0.42 3.21 2 65.8 33.2
103 4 1 0 40.651 81.301 0.423 3.18 4 15.6 3.7
104 0 8 2 40.721 81.443 0.423 3.17 4 5.6 0.5
105 2 3 4 40.839 81.677 0.424 3.16 8 12.7 4.8
106 3 6 0 41.359 82.719 0.429 3.1 4 2.2 0.1
107 1 5 4 41.465 82.93 0.43 3.09 8 0.3 0.0
108 3 3 3 41.508 83.017 0.43 3.09 8 47.2 65.5
109 4 2 0 41.619 83.239 0.431 3.07 4 34.7 17.7
110 4 1 1 41.636 83.272 0.431 3.07 8 8.1 1.9
111 3 5 2 41.748 83.496 0.432 3.06 8 26.4 20.4
112 2 7 2 41.93 83.86 0.434 3.04 8 27.0 21.2
113 0 2 5 42.037 84.074 0.435 3.03 4 32.6 15.3
114 1 8 2 42.233 84.465 0.436 3.02 8 22.7 14.8
115 1 0 5 42.258 84.515 0.437 3.02 4 26.6 10.2
116 1 7 3 42.315 84.63 0.437 3.01 8 0.3 0.0
117 3 6 1 42.342 84.683 0.437 3.01 8 29.3 24.7
118 1 1 5 42.579 85.158 0.439 2.99 8 22.7 14.7
119 4 2 1 42.601 85.202 0.439 2.99 8 6.4 1.1
120 2 6 3 42.656 85.311 0.44 2.98 8 19.2 10.5
121 2 8 0 42.828 85.657 0.441 2.97 4 28.6 11.6
122 2 4 4 43.092 86.184 0.443 2.95 8 35.3 35.1
123 4 3 0 43.226 86.452 0.445 2.94 4 19.6 5.4
124 0 6 4 43.493 86.987 0.447 2.92 4 46.2 29.8
125 1 2 5 43.541 87.082 0.447 2.91 8 2.3 0.1
126 3 4 3 43.757 87.513 0.449 2.9 8 36.4 36.6
127 1 9 0 43.771 87.541 0.449 2.9 4 32.0 14.2
128 2 8 1 43.806 87.613 0.449 2.9 8 26.3 19.1
129 4 3 1 44.204 88.407 0.453 2.87 8 1.7 0.1
130 4 0 2 44.253 88.506 0.453 2.87 4 24.2 8.0
131 4 1 2 44.573 89.146 0.456 2.85 8 34.1 31.6
132 1 9 1 44.748 89.495 0.457 2.84 8 29.9 24.3
133 1 6 4 44.994 89.988 0.459 2.83 8 2.6 0.2
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 8.596 17.192 5.1536 296.8 24.0 24.3 5.6
2 1 1 0 10.266 20.531 4.32226 679.2 54.8 55.5 5.6
3 0 2 1 11.446 22.892 3.88155 370.4 29.9 30.2 5.6
4 1 0 1 11.998 23.997 3.70532 139.4 11.3 11.4 5.6
5 1 2 0 12.724 25.449 3.49714 97.7 7.9 8.0 5.6
6 1 1 1 12.762 25.525 3.48686 838.4 67.7 68.3 5.6
7 1 2 1 14.835 29.67 3.00845 76.9 6.2 6.2 5.6
8 0 0 2 15.134 30.269 2.9503 695.1 56.1 56.4 5.6
9 1 3 0 16.05 32.1 2.78607 194.3 15.7 15.7 5.6
10 1 3 1 17.803 35.606 2.51935 1238.4 100.0 100.0 5.7
11 1 1 2 18.428 36.856 2.43675 351.8 28.4 28.4 5.7
12 0 4 1 19.038 38.075 2.36145 173.4 14.0 14.0 5.7
13 2 1 0 19.396 38.791 2.31949 88.5 7.1 7.1 5.7
14 1 4 0 19.871 39.742 2.26618 233.6 18.9 18.8 5.7
15 1 2 2 19.973 39.947 2.25502 309.8 25.0 24.9 5.7
16 2 1 1 20.905 41.811 2.15869 261.9 21.1 21.0 5.7
17 2 2 1 22.308 44.615 2.0293 13.2 1.1 1.1 5.7
18 1 3 2 22.35 44.701 2.02562 16.3 1.3 1.3 5.7
19 0 4 2 23.384 46.768 1.94078 25.4 2.0 2.0 5.7
20 2 0 2 24.568 49.136 1.85266 184.3 14.9 14.7 5.7
21 1 5 1 25.315 50.63 1.80142 88.9 7.2 7.1 5.8
22 1 1 3 25.485 50.969 1.79023 129.9 10.5 10.3 5.8
23 2 4 0 26.137 52.274 1.74857 137.5 11.1 10.9 5.8
24 2 2 2 26.22 52.44 1.74343 418.0 33.8 33.1 5.8
25 0 6 0 26.641 53.281 1.71787 41.0 3.3 3.3 5.8
26 1 2 3 26.7 53.4 1.71433 53.4 4.3 4.2 5.8
27 2 4 1 27.352 54.704 1.67651 190.4 15.4 15.1 5.8
28 0 6 1 27.84 55.681 1.64939 141.5 11.4 11.2 5.8
29 2 3 2 28.188 56.376 1.63069 12.4 1.0 1.0 5.8
30 1 3 3 28.645 57.291 1.6068 280.7 22.7 22.1 5.8
31 0 4 3 29.517 59.033 1.56346 116.7 9.4 9.2 5.8
32 3 1 1 30.54 61.079 1.5159 99.2 8.0 7.8 5.8
33 2 5 1 30.746 61.492 1.5067 46.7 3.8 3.7 5.8
34 2 4 2 30.802 61.605 1.50423 16.5 1.3 1.3 5.8
35 2 1 3 30.896 61.791 1.50013 32.9 2.7 2.6 5.8
36 0 6 2 31.256 62.512 1.48454 296.2 23.9 23.2 5.8
37 0 0 4 31.478 62.956 1.47515 192.0 15.5 15.0 5.9
38 3 2 1 31.625 63.25 1.46899 27.8 2.2 2.2 5.9
39 1 7 0 33.201 66.401 1.40672 86.1 7.0 6.7 5.9
40 3 3 1 33.391 66.781 1.39963 134.9 10.9 10.5 5.9
41 1 1 4 33.487 66.974 1.39608 34.5 2.8 2.7 5.9
42 2 6 0 33.57 67.14 1.39303 52.0 4.2 4.0 5.9
43 1 5 3 34.399 68.798 1.36345 22.0 1.8 1.7 5.9
44 2 6 1 34.621 69.243 1.35576 17.9 1.4 1.4 5.9
45 3 4 0 34.752 69.504 1.3513 54.6 4.4 4.2 5.9
46 3 2 2 34.822 69.644 1.34893 153.7 12.4 11.9 5.9
47 3 4 1 35.788 71.576 1.3172 41.8 3.4 3.2 5.9
48 2 4 3 36.117 72.233 1.30682 25.6 2.1 2.0 5.9
49 1 3 4 36.217 72.434 1.30369 23.4 1.9 1.8 5.9
50 0 6 3 36.537 73.074 1.29385 81.5 6.6 6.3 6.0
51 1 7 2 37.346 74.693 1.26977 96.8 7.8 7.4 6.0
52 2 0 4 37.901 75.802 1.25392 13.8 1.1 1.1 6.0
53 1 6 3 38.092 76.185 1.24857 13.8 1.1 1.1 6.0
54 2 1 4 38.23 76.461 1.24474 13.9 1.1 1.1 6.0
55 1 4 4 38.539 77.079 1.2363 13.4 1.1 1.0 6.0
56 3 0 3 38.584 77.167 1.23511 19.7 1.6 1.5 6.0
57 3 1 3 38.911 77.823 1.22633 19.9 1.6 1.5 6.0
58 2 5 3 39.097 78.193 1.22145 27.6 2.2 2.1 6.0
59 2 2 4 39.214 78.428 1.21838 28.5 2.3 2.2 6.0
60 4 0 0 40.327 80.653 1.19028 33.2 2.7 2.5 6.1
61 3 3 3 41.508 83.017 1.16229 65.5 5.3 4.9 6.1
62 4 2 0 41.619 83.239 1.15974 19.6 1.6 1.5 6.1
63 3 5 2 41.748 83.496 1.15683 20.4 1.6 1.5 6.1
64 2 7 2 41.93 83.86 1.15273 21.2 1.7 1.6 6.1
65 0 2 5 42.037 84.074 1.15035 15.3 1.2 1.1 6.1
66 1 8 2 42.233 84.465 1.14601 25.0 2.0 1.9 6.1
67 3 6 1 42.342 84.683 1.14361 24.7 2.0 1.8 6.1
68 1 1 5 42.579 85.158 1.13845 15.8 1.3 1.2 6.1
69 2 4 4 43.092 86.184 1.12751 35.1 2.8 2.6 6.1
70 0 6 4 43.493 86.987 1.11915 29.8 2.4 2.2 6.1
71 3 4 3 43.757 87.513 1.11377 50.8 4.1 3.8 6.2
72 2 8 1 43.806 87.613 1.11276 19.1 1.5 1.4 6.2
73 4 1 2 44.573 89.146 1.09755 31.6 2.6 2.3 6.2
74 1 9 1 44.748 89.495 1.09417 24.3 2.0 1.8 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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