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
47, t-olivine, analogue, at 3.02 GPa
LiScSiO(4)
Orthorhombic P bnm Z = 4
R =0.038 NR =201
19 .11 .1996
Ref.Str.:
Hazen R.M., Downs R.T., Finger L.W. (1996)
* Amer. Mineral., 81, 327-334
Reserv:
In original - olivine[33]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7802 alpha = 90.0
b = 10.3514 beta = 90.0
c = 5.9224 gamma = 90.0
Unit cell volume (cub. angs.) = 293.05
Molar volume ( cub.cm/mol.) = 44.13
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 1.2 Li = 1.00
2 0.9898 0.2739 0.25 0.32 Sc = 1.00
3 0.4295 0.0895 0.25 0.38 Si = 1.00
4 0.7585 0.0986 0.25 0.43 O = 1.00
5 0.2014 0.4459 0.25 0.41 O = 1.00
6 0.2763 0.1673 0.039 0.37 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 0.9898 0.2739 0.25
3 3 0.4295 0.0895 0.25
4 4 0.7585 0.0986 0.25
5 5 0.2014 0.4459 0.25
6 6 0.2763 0.1673 0.039
7 2 0.0102 0.7261 0.75
8 3 0.5705 0.9105 0.75
9 4 0.2415 0.9014 0.75
10 5 0.7986 0.5541 0.75
11 6 0.7237 0.8327 0.961
12 1 0.0 0.0 0.5
13 6 0.7237 0.8327 0.539
14 6 0.2763 0.1673 0.461
15 1 0.5 0.5 0.0
16 2 0.5102 0.7739 0.25
17 3 0.0705 0.5895 0.25
18 4 0.7415 0.5986 0.25
19 5 0.2986 0.9459 0.25
20 6 0.2237 0.6673 0.039
21 2 0.4898 0.2261 0.75
22 3 0.9295 0.4105 0.75
23 4 0.2585 0.4014 0.75
24 5 0.7014 0.0541 0.75
25 6 0.7763 0.3327 0.961
26 1 0.5 0.5 0.5
27 6 0.7763 0.3327 0.539
28 6 0.2237 0.6673 0.461
X-ray density (g/cm cub.) = 3.26
MU (1/cm) = 242.796 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
2.137 4
2.1902 6
2.137 4
2.1902 6
2.1315 5
2.1315 5
2 Sc 2.628 6
2.1249 4
2.0477 5
2.1575 6
2.1575 6
2.0836 6
2.0836 6
3 Si 2.1 4
1.5755 4
1.6572 6
1.6572 6
1.6128 5
4 O 3.264 12
2.8625 6
2.7167 6
3.2455 6
3.2455 6
2.8625 6
2.7167 6
3.0272 5
2.7077 5
3.0092 5
3.0092 5
2.968 6
2.968 6
5 O 3.264 10
3.1633 6
3.1633 6
3.0272 4
2.7077 4
2.6125 6
3.0092 4
3.0092 4
2.9038 6
2.9038 6
2.6125 6
6 O 3.264 10
2.7167 4
2.8625 4
3.1633 5
3.2455 4
2.4993 6
2.6125 5
2.968 4
2.9038 5
2.9761 6
2.9761 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 8.559 17.118 0.097 87.36 2 38.7 304.3
2 1 1 0 10.224 20.447 0.115 60.57 4 50.3 712.6
3 0 2 1 11.4 22.799 0.128 48.31 4 40.8 375.2
4 1 0 1 11.951 23.903 0.134 43.76 4 26.7 145.3
5 1 2 0 12.671 25.342 0.142 38.7 4 22.7 92.9
6 1 1 1 12.712 25.423 0.143 38.44 8 47.7 813.7
7 1 2 1 14.774 29.549 0.166 27.94 8 16.1 67.5
8 0 0 2 15.077 30.155 0.169 26.75 2 105.5 692.7
9 1 3 0 15.981 31.962 0.179 23.6 4 42.7 200.0
10 0 4 0 17.317 34.633 0.193 19.83 2 2.5 0.3
11 0 2 2 17.439 34.878 0.195 19.52 4 3.2 1.0
12 1 3 1 17.728 35.456 0.198 18.84 8 83.5 1223.5
13 1 1 2 18.355 36.711 0.204 17.45 8 47.4 365.0
14 2 0 0 18.801 37.602 0.209 16.55 2 9.9 3.8
15 0 4 1 18.955 37.91 0.211 16.26 4 46.6 164.6
16 2 1 0 19.315 38.63 0.215 15.6 4 32.5 76.5
17 1 4 0 19.784 39.568 0.22 14.79 4 58.2 233.0
18 1 2 2 19.893 39.786 0.221 14.61 8 47.9 312.8
19 2 2 0 20.792 41.585 0.23 13.24 4 38.1 89.4
20 2 1 1 20.819 41.637 0.231 13.2 8 37.3 171.4
21 1 4 1 21.26 42.52 0.235 12.59 8 2.1 0.5
22 2 2 1 22.214 44.427 0.245 11.41 8 11.6 14.4
23 1 3 2 22.257 44.515 0.246 11.36 8 13.0 17.8
24 2 3 0 23.082 46.164 0.254 10.46 4 13.6 9.0
25 0 4 2 23.285 46.569 0.257 10.26 4 22.1 23.2
26 1 5 0 23.92 47.84 0.263 9.65 4 4.2 0.8
27 2 3 1 24.397 48.794 0.268 9.23 8 1.8 0.3
28 2 0 2 24.466 48.933 0.269 9.17 4 66.2 187.0
29 0 2 3 24.684 49.367 0.271 8.99 4 0.5 0.0
30 2 1 2 24.885 49.769 0.273 8.82 8 9.8 7.9
31 1 0 3 24.97 49.941 0.274 8.75 4 12.6 6.5
32 1 5 1 25.202 50.404 0.276 8.57 8 34.5 95.0
33 1 4 2 25.27 50.54 0.277 8.52 8 9.1 6.6
34 1 1 3 25.383 50.765 0.278 8.43 8 40.5 128.7
35 2 4 0 26.021 52.042 0.285 7.97 4 60.0 133.6
36 2 2 2 26.11 52.219 0.286 7.91 8 75.3 417.2
37 0 6 0 26.518 53.036 0.29 7.63 2 46.5 38.5
38 1 2 3 26.591 53.182 0.291 7.59 8 27.2 52.4
39 2 4 1 27.231 54.462 0.297 7.19 8 53.8 193.7
40 0 6 1 27.713 55.425 0.302 6.91 4 68.9 152.6
41 2 3 2 28.066 56.133 0.305 6.71 8 13.4 11.3
42 1 6 0 28.338 56.675 0.308 6.56 4 4.8 0.7
43 1 3 3 28.525 57.05 0.31 6.47 8 68.0 278.2
44 1 5 2 28.798 57.597 0.313 6.33 8 8.6 4.3
45 3 1 0 29.282 58.565 0.317 6.1 4 8.1 1.9
46 0 4 3 29.39 58.781 0.319 6.05 4 64.0 115.3
47 1 6 1 29.483 58.966 0.319 6.0 8 1.8 0.2
48 2 5 0 29.488 58.975 0.32 6.0 4 4.3 0.5
49 3 0 1 30.04 60.081 0.325 5.76 4 20.9 11.7
50 3 2 0 30.385 60.77 0.328 5.61 4 27.1 19.2
51 3 1 1 30.405 60.81 0.329 5.6 8 39.1 79.6
52 2 5 1 30.606 61.212 0.33 5.52 8 28.4 41.5
53 2 4 2 30.666 61.331 0.331 5.5 8 17.6 15.8
54 2 1 3 30.765 61.529 0.332 5.46 8 25.5 32.9
55 1 4 3 31.1 62.2 0.335 5.33 8 12.3 7.5
56 0 6 2 31.113 62.226 0.335 5.32 4 107.1 284.5
57 0 0 4 31.349 62.698 0.338 5.24 2 125.5 192.0
58 3 2 1 31.484 62.968 0.339 5.19 8 22.2 23.8
59 2 2 3 31.837 63.674 0.342 5.06 8 13.6 8.7
60 3 3 0 32.173 64.346 0.346 4.95 4 18.2 7.6
61 0 2 4 32.76 65.519 0.351 4.76 4 17.4 6.7
62 1 6 2 32.77 65.54 0.351 4.76 8 5.5 1.3
63 1 7 0 33.042 66.083 0.354 4.67 4 62.7 85.7
64 3 3 1 33.239 66.478 0.356 4.61 8 57.1 140.1
65 1 1 4 33.346 66.692 0.357 4.58 8 29.2 36.4
66 2 6 0 33.411 66.822 0.357 4.56 4 50.0 53.1
67 2 3 3 33.582 67.163 0.359 4.51 8 9.0 3.4
68 3 1 2 33.641 67.281 0.36 4.5 8 14.6 8.9
69 2 5 2 33.831 67.662 0.361 4.44 8 10.6 4.7
70 1 7 1 34.093 68.187 0.364 4.37 8 1.2 0.1
71 1 5 3 34.244 68.487 0.365 4.33 8 24.2 23.7
72 1 2 4 34.375 68.749 0.366 4.3 8 4.8 0.9
73 2 6 1 34.457 68.915 0.367 4.28 8 21.7 18.8
74 3 4 0 34.59 69.181 0.369 4.25 4 52.5 54.5
75 3 2 2 34.665 69.33 0.369 4.23 8 61.9 150.8
76 3 4 1 35.621 71.241 0.378 4.0 8 32.9 40.3
77 2 4 3 35.953 71.905 0.381 3.93 8 26.4 25.6
78 1 3 4 36.058 72.117 0.382 3.91 8 25.7 24.1
79 3 3 2 36.343 72.686 0.385 3.85 8 29.8 31.9
80 0 6 3 36.367 72.733 0.385 3.84 4 56.8 57.7
81 0 8 0 36.534 73.069 0.386 3.81 2 7.5 0.5
82 0 4 4 36.825 73.651 0.389 3.75 4 7.0 0.9
83 1 7 2 37.165 74.331 0.392 3.69 8 53.1 96.8
84 2 6 2 37.517 75.033 0.395 3.63 8 13.2 5.9
85 0 8 1 37.542 75.085 0.396 3.62 4 1.0 0.0
86 3 5 0 37.591 75.182 0.396 3.61 4 10.1 1.7
87 2 0 4 37.733 75.466 0.397 3.59 4 29.0 14.1
88 2 7 0 37.773 75.545 0.398 3.58 4 17.2 5.0
89 1 6 3 37.912 75.825 0.399 3.56 8 20.8 14.3
90 2 1 4 38.06 76.121 0.4 3.53 8 18.8 11.7
91 1 8 0 38.078 76.155 0.4 3.53 4 11.7 2.3
92 1 4 4 38.365 76.729 0.403 3.49 8 20.6 13.8
93 3 0 3 38.407 76.814 0.403 3.48 4 37.2 22.5
94 3 5 1 38.589 77.179 0.405 3.45 8 15.2 7.4
95 3 4 2 38.643 77.286 0.405 3.44 8 14.9 7.1
96 3 1 3 38.732 77.464 0.406 3.43 8 24.7 19.5
97 2 7 1 38.769 77.539 0.406 3.42 8 14.9 7.1
98 2 5 3 38.912 77.824 0.408 3.4 8 28.3 25.5
99 2 2 4 39.037 78.074 0.409 3.38 8 30.5 29.3
100 1 8 1 39.072 78.144 0.409 3.38 8 18.6 10.9
101 3 2 3 39.704 79.408 0.415 3.29 8 10.4 3.3
102 4 0 0 40.133 80.265 0.418 3.24 2 67.5 34.4
103 4 1 0 40.454 80.908 0.421 3.2 4 14.4 3.1
104 0 8 2 40.516 81.031 0.422 3.19 4 7.1 0.7
105 2 3 4 40.649 81.299 0.423 3.18 8 12.2 4.4
106 3 6 0 41.152 82.304 0.427 3.12 4 0.7 0.0
107 1 5 4 41.269 82.537 0.428 3.11 8 0.2 0.0
108 3 3 3 41.31 82.62 0.429 3.11 8 48.6 68.3
109 4 2 0 41.416 82.831 0.429 3.09 4 35.9 18.5
110 4 1 1 41.433 82.867 0.43 3.09 8 8.1 1.9
111 3 5 2 41.542 83.084 0.43 3.08 8 27.1 21.1
112 2 7 2 41.719 83.438 0.432 3.06 8 27.6 21.7
113 0 2 5 41.845 83.691 0.433 3.05 4 33.1 15.5
114 1 8 2 42.016 84.033 0.434 3.04 8 22.8 14.7
115 1 0 5 42.065 84.131 0.435 3.03 4 27.8 10.9
116 1 7 3 42.104 84.208 0.435 3.03 8 2.2 0.1
117 3 6 1 42.128 84.255 0.435 3.03 8 30.7 26.6
118 1 1 5 42.384 84.768 0.438 3.0 8 22.7 14.4
119 4 2 1 42.391 84.781 0.438 3.0 8 4.8 0.7
120 2 6 3 42.444 84.888 0.438 3.0 8 19.6 10.7
121 2 8 0 42.605 85.21 0.439 2.99 4 28.9 11.6
122 2 4 4 42.885 85.77 0.442 2.96 8 35.0 33.8
123 4 3 0 43.01 86.02 0.443 2.95 4 23.2 7.4
124 0 6 4 43.28 86.56 0.445 2.93 4 46.2 29.2
125 1 2 5 43.339 86.677 0.445 2.93 8 1.8 0.1
126 1 9 0 43.538 87.075 0.447 2.91 4 33.4 15.2
127 3 4 3 43.54 87.081 0.447 2.91 8 36.4 35.9
128 2 8 1 43.577 87.153 0.447 2.91 8 26.8 19.5
129 4 3 1 43.98 87.961 0.451 2.89 8 0.2 0.0
130 4 0 2 44.033 88.065 0.451 2.88 4 25.6 8.8
131 4 1 2 44.35 88.7 0.454 2.86 8 33.6 30.2
132 1 9 1 44.507 89.015 0.455 2.85 8 29.6 23.2
133 1 6 4 44.769 89.538 0.457 2.84 8 3.5 0.3
134 1 3 5 44.926 89.852 0.458 2.83 8 52.2 71.8
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 8.559 17.118 5.1757 304.3 24.9 25.2 5.6
2 1 1 0 10.224 20.447 4.33981 712.6 58.2 58.9 5.6
3 0 2 1 11.4 22.799 3.8972 375.2 30.7 31.0 5.6
4 1 0 1 11.951 23.903 3.71972 145.3 11.9 12.0 5.6
5 1 2 0 12.671 25.342 3.51162 92.9 7.6 7.7 5.6
6 1 1 1 12.712 25.423 3.50057 813.7 66.5 67.1 5.6
7 1 2 1 14.774 29.549 3.02056 67.5 5.5 5.5 5.6
8 0 0 2 15.077 30.155 2.9612 692.7 56.6 56.9 5.6
9 1 3 0 15.981 31.962 2.79775 200.0 16.3 16.4 5.6
10 1 3 1 17.728 35.456 2.52969 1223.5 100.0 100.0 5.7
11 1 1 2 18.355 36.711 2.44604 365.0 29.8 29.8 5.7
12 0 4 1 18.955 37.91 2.37135 164.6 13.5 13.4 5.7
13 2 1 0 19.315 38.63 2.32883 76.5 6.3 6.2 5.7
14 1 4 0 19.784 39.568 2.27576 233.0 19.0 19.0 5.7
15 1 2 2 19.893 39.786 2.26377 312.8 25.6 25.5 5.7
16 2 1 1 20.819 41.637 2.16729 260.7 21.3 21.2 5.7
17 2 2 1 22.214 44.427 2.03745 14.4 1.2 1.2 5.7
18 1 3 2 22.257 44.515 2.03364 17.8 1.5 1.4 5.7
19 0 4 2 23.285 46.569 1.9486 23.2 1.9 1.9 5.7
20 2 0 2 24.466 48.933 1.85986 187.0 15.3 15.1 5.7
21 1 5 1 25.202 50.404 1.80897 95.0 7.8 7.6 5.8
22 1 1 3 25.383 50.765 1.79695 128.7 10.5 10.4 5.8
23 2 4 0 26.021 52.042 1.75581 133.6 10.9 10.7 5.8
24 2 2 2 26.11 52.219 1.75028 417.2 34.1 33.5 5.8
25 0 6 0 26.518 53.036 1.72523 38.5 3.1 3.1 5.8
26 1 2 3 26.591 53.182 1.72085 52.4 4.3 4.2 5.8
27 2 4 1 27.231 54.462 1.68339 193.7 15.8 15.5 5.8
28 0 6 1 27.713 55.425 1.65638 152.6 12.5 12.2 5.8
29 1 3 3 28.525 57.05 1.61301 278.2 22.7 22.2 5.8
30 0 4 3 29.39 58.781 1.56958 115.3 9.4 9.2 5.8
31 3 1 1 30.405 60.81 1.52196 98.9 8.1 7.8 5.8
32 2 5 1 30.606 61.212 1.51293 41.5 3.4 3.3 5.8
33 2 4 2 30.666 61.331 1.51028 15.8 1.3 1.3 5.8
34 2 1 3 30.765 61.529 1.50588 32.9 2.7 2.6 5.8
35 0 6 2 31.113 62.226 1.49069 291.9 23.9 23.1 5.8
36 0 0 4 31.349 62.698 1.4806 192.0 15.7 15.2 5.8
37 3 2 1 31.484 62.968 1.47489 23.8 1.9 1.9 5.9
38 1 7 0 33.042 66.083 1.41272 85.7 7.0 6.7 5.9
39 3 3 1 33.239 66.478 1.40529 140.1 11.4 11.0 5.9
40 1 1 4 33.346 66.692 1.40129 36.4 3.0 2.9 5.9
41 2 6 0 33.411 66.822 1.39887 53.1 4.3 4.2 5.9
42 1 5 3 34.244 68.487 1.36887 23.7 1.9 1.9 5.9
43 2 6 1 34.457 68.915 1.36141 18.8 1.5 1.5 5.9
44 3 4 0 34.59 69.181 1.35683 54.5 4.5 4.3 5.9
45 3 2 2 34.665 69.33 1.35427 150.8 12.3 11.8 5.9
46 3 4 1 35.621 71.241 1.32256 40.3 3.3 3.1 5.9
47 2 4 3 35.953 71.905 1.31197 25.6 2.1 2.0 5.9
48 1 3 4 36.058 72.117 1.30864 24.1 2.0 1.9 5.9
49 0 6 3 36.367 72.733 1.29907 89.6 7.3 7.0 6.0
50 1 7 2 37.165 74.331 1.27505 96.8 7.9 7.5 6.0
51 2 0 4 37.733 75.466 1.25866 14.1 1.2 1.1 6.0
52 1 6 3 37.912 75.825 1.2536 14.3 1.2 1.1 6.0
53 2 1 4 38.06 76.121 1.24946 13.9 1.1 1.1 6.0
54 1 4 4 38.365 76.729 1.24106 13.8 1.1 1.1 6.0
55 3 0 3 38.407 76.814 1.23991 22.5 1.8 1.7 6.0
56 3 1 3 38.732 77.464 1.23111 19.5 1.6 1.5 6.0
57 2 5 3 38.912 77.824 1.22631 25.5 2.1 2.0 6.0
58 2 2 4 39.037 78.074 1.22302 29.3 2.4 2.3 6.0
59 4 0 0 40.133 80.265 1.19505 34.4 2.8 2.6 6.0
60 3 3 3 41.31 82.62 1.16686 68.3 5.6 5.2 6.1
61 4 2 0 41.416 82.831 1.16441 20.4 1.7 1.6 6.1
62 3 5 2 41.542 83.084 1.16152 21.1 1.7 1.6 6.1
63 2 7 2 41.719 83.438 1.15749 21.7 1.8 1.6 6.1
64 0 2 5 41.845 83.691 1.15463 15.5 1.3 1.2 6.1
65 1 8 2 42.016 84.033 1.1508 14.7 1.2 1.1 6.1
66 3 6 1 42.128 84.255 1.14833 26.6 2.2 2.0 6.1
67 1 1 5 42.384 84.768 1.14268 15.1 1.2 1.1 6.1
68 2 4 4 42.885 85.77 1.13188 33.8 2.8 2.6 6.1
69 0 6 4 43.28 86.56 1.12357 29.2 2.4 2.2 6.1
70 3 4 3 43.54 87.081 1.11819 51.1 4.2 3.8 6.1
71 2 8 1 43.577 87.153 1.11744 19.5 1.6 1.5 6.2
72 4 1 2 44.35 88.7 1.10191 30.2 2.5 2.3 6.2
73 1 9 1 44.507 89.015 1.09883 23.2 1.9 1.7 6.2
74 1 3 5 44.926 89.852 1.09075 71.8 5.9 5.4 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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