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
41, t-olivine, analogue, at 0.06 GPa
LiScSiO(4)
Orthorhombic P bnm Z = 4
R =0.032 NR =222
15 .11 .1996
Ref.Str.:
Hazen R.M., Downs R.T., Finger L.W. (1996)
* Amer. Mineral., 81, 327-334
Reserv:
In original - olivine[27]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.8189 alpha = 90.0
b = 10.4373 beta = 90.0
c = 5.9695 gamma = 90.0
Unit cell volume (cub. angs.) = 300.24
Molar volume ( cub.cm/mol.) = 45.21
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 1.6 Li = 1.00
2 0.9926 0.2744 0.25 0.38 Sc = 1.00
3 0.4316 0.091 0.25 0.44 Si = 1.00
4 0.7646 0.101 0.25 0.57 O = 1.00
5 0.1966 0.4479 0.25 0.57 O = 1.00
6 0.2845 0.1679 0.0399 0.48 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 0.9926 0.2744 0.25
3 3 0.4316 0.091 0.25
4 4 0.7646 0.101 0.25
5 5 0.1966 0.4479 0.25
6 6 0.2845 0.1679 0.0399
7 2 0.0074 0.7256 0.75
8 3 0.5684 0.909 0.75
9 4 0.2354 0.899 0.75
10 5 0.8034 0.5521 0.75
11 6 0.7155 0.8321 0.9601
12 1 0.0 0.0 0.5
13 6 0.7155 0.8321 0.5399
14 6 0.2845 0.1679 0.4601
15 1 0.5 0.5 0.0
16 2 0.5074 0.7744 0.25
17 3 0.0684 0.591 0.25
18 4 0.7354 0.601 0.25
19 5 0.3034 0.9479 0.25
20 6 0.2155 0.6679 0.0399
21 2 0.4926 0.2256 0.75
22 3 0.9316 0.409 0.75
23 4 0.2646 0.399 0.75
24 5 0.6966 0.0521 0.75
25 6 0.7845 0.3321 0.9601
26 1 0.5 0.5 0.5
27 6 0.7845 0.3321 0.5399
28 6 0.2155 0.6679 0.4601
X-ray density (g/cm cub.) = 3.18
MU (1/cm) = 236.979 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
2.2377 6
2.1506 4
2.2377 6
2.1588 5
2.1588 5
2 Sc 2.628 6
2.1172 4
2.0605 5
2.188 6
2.188 6
2.0888 6
2.0888 6
3 Si 2.1 4
1.6081 4
1.6491 6
1.6491 6
1.6163 5
4 O 3.264 10
2.8874 6
2.7227 6
2.8874 6
2.7227 6
3.0487 5
2.7373 5
3.0458 5
3.0458 5
2.9702 6
2.9702 6
5 O 3.264 10
3.2083 6
3.2083 6
3.0487 4
2.7373 4
2.618 6
3.0458 4
3.0458 4
2.8982 6
2.8982 6
2.618 6
6 O 3.264 9
2.7227 4
2.8874 4
3.2083 5
2.5084 6
2.618 5
2.9702 4
2.8982 5
2.9949 6
2.9949 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 8.488 16.976 0.096 88.86 2 40.2 318.7
2 1 1 0 10.14 20.281 0.114 61.61 4 51.9 736.4
3 0 2 1 11.306 22.612 0.127 49.14 4 41.8 381.7
4 1 0 1 11.855 23.709 0.133 44.51 4 27.4 148.1
5 1 2 0 12.566 25.133 0.141 39.38 4 21.9 84.0
6 1 1 1 12.608 25.216 0.142 39.11 8 47.4 780.6
7 1 2 1 14.653 29.305 0.164 28.44 8 15.2 58.6
8 0 0 2 14.956 29.911 0.168 27.22 2 105.8 676.4
9 1 3 0 15.847 31.695 0.177 24.03 4 45.7 222.9
10 0 4 0 17.17 34.339 0.192 20.2 2 3.2 0.5
11 0 2 2 17.296 34.591 0.193 19.88 4 3.9 1.4
12 1 3 1 17.579 35.159 0.196 19.19 8 82.3 1152.0
13 1 1 2 18.204 36.409 0.203 17.77 8 46.6 341.8
14 2 0 0 18.644 37.289 0.208 16.86 2 13.6 7.0
15 0 4 1 18.794 37.589 0.209 16.57 4 45.3 150.9
16 2 1 0 19.153 38.307 0.213 15.89 4 34.7 84.8
17 1 4 0 19.615 39.23 0.218 15.07 4 56.8 215.6
18 1 2 2 19.727 39.455 0.219 14.88 8 47.5 297.6
19 2 2 0 20.617 41.234 0.229 13.49 4 38.0 86.2
20 2 1 1 20.644 41.288 0.229 13.45 8 39.6 187.2
21 1 4 1 21.078 42.157 0.233 12.84 8 4.4 2.2
22 2 2 1 22.025 44.051 0.243 11.63 8 11.7 14.2
23 1 3 2 22.069 44.138 0.244 11.58 8 12.1 15.0
24 2 3 0 22.884 45.769 0.252 10.67 4 15.2 10.9
25 0 4 2 23.085 46.171 0.255 10.46 4 20.5 19.6
26 1 5 0 23.712 47.424 0.261 9.85 4 6.5 1.8
27 2 3 1 24.187 48.375 0.266 9.41 8 0.2 0.0
28 2 0 2 24.259 48.517 0.267 9.35 4 66.7 184.8
29 0 2 3 24.475 48.95 0.269 9.16 4 0.7 0.0
30 2 1 2 24.673 49.345 0.271 9.0 8 6.0 2.9
31 1 0 3 24.76 49.519 0.272 8.92 4 12.4 6.1
32 1 5 1 24.982 49.964 0.274 8.74 8 36.1 101.1
33 1 4 2 25.052 50.103 0.275 8.69 8 10.0 7.8
34 1 1 3 25.167 50.335 0.276 8.6 8 41.8 133.1
35 2 4 0 25.794 51.588 0.282 8.13 4 57.5 119.1
36 2 2 2 25.885 51.77 0.283 8.07 8 73.9 391.1
37 0 6 0 26.283 52.566 0.287 7.79 2 43.4 32.6
38 1 2 3 26.363 52.726 0.288 7.74 8 26.7 49.1
39 2 4 1 26.992 53.984 0.295 7.33 8 54.4 192.8
40 0 6 1 27.466 54.932 0.299 7.05 4 72.6 164.7
41 2 3 2 27.821 55.642 0.303 6.84 8 15.2 14.0
42 1 6 0 28.084 56.169 0.306 6.7 4 4.6 0.6
43 1 3 3 28.277 56.554 0.308 6.6 8 67.1 263.4
44 1 5 2 28.543 57.087 0.31 6.46 8 8.5 4.1
45 3 1 0 29.024 58.049 0.315 6.22 4 8.0 1.8
46 0 4 3 29.132 58.264 0.316 6.17 4 63.6 110.6
47 1 6 1 29.218 58.436 0.317 6.13 8 2.1 0.2
48 2 5 0 29.224 58.448 0.317 6.12 4 10.0 2.7
49 3 0 1 29.775 59.55 0.322 5.87 4 24.2 15.2
50 3 2 0 30.115 60.23 0.326 5.72 4 27.4 19.1
51 3 1 1 30.136 60.271 0.326 5.72 8 38.5 75.3
52 2 5 1 30.331 60.662 0.328 5.63 8 27.3 37.3
53 2 4 2 30.392 60.784 0.328 5.61 8 17.4 15.0
54 2 1 3 30.494 60.988 0.329 5.57 8 25.6 32.3
55 1 4 3 30.823 61.647 0.333 5.44 8 13.6 9.0
56 0 6 2 30.832 61.664 0.333 5.43 4 103.6 258.8
57 0 0 4 31.074 62.148 0.335 5.34 2 124.4 183.2
58 3 2 1 31.203 62.405 0.336 5.29 8 19.2 17.4
59 2 2 3 31.554 63.108 0.34 5.16 8 13.0 7.7
60 3 3 0 31.883 63.765 0.343 5.05 4 16.7 6.2
61 0 2 4 32.468 64.937 0.348 4.85 4 18.2 7.1
62 1 6 2 32.471 64.941 0.348 4.85 8 6.4 1.8
63 1 7 0 32.736 65.472 0.351 4.77 4 61.2 79.1
64 3 3 1 32.937 65.874 0.353 4.7 8 59.9 150.0
65 1 1 4 33.048 66.097 0.354 4.67 8 29.7 36.5
66 2 6 0 33.103 66.206 0.355 4.65 4 50.6 52.8
67 2 3 3 33.278 66.556 0.356 4.6 8 9.7 3.9
68 3 1 2 33.336 66.672 0.357 4.58 8 17.4 12.3
69 2 5 2 33.521 67.041 0.358 4.53 8 9.3 3.4
70 1 7 1 33.776 67.552 0.361 4.46 8 0.6 0.0
71 1 5 3 33.93 67.86 0.362 4.42 8 24.5 23.5
72 1 2 4 34.065 68.129 0.364 4.38 8 4.1 0.6
73 2 6 1 34.138 68.276 0.364 4.36 8 23.0 20.5
74 3 4 0 34.272 68.543 0.366 4.33 4 49.0 46.1
75 3 2 2 34.348 68.696 0.366 4.31 8 58.2 129.5
76 3 4 1 35.29 70.579 0.375 4.08 8 32.1 37.2
77 2 4 3 35.62 71.24 0.378 4.0 8 27.2 26.3
78 1 3 4 35.727 71.455 0.379 3.98 8 26.7 25.1
79 3 3 2 36.005 72.01 0.382 3.92 8 34.6 41.5
80 0 6 3 36.026 72.053 0.382 3.91 4 60.1 62.8
81 0 8 0 36.186 72.372 0.383 3.88 2 5.1 0.2
82 0 4 4 36.484 72.968 0.386 3.82 4 6.3 0.7
83 1 7 2 36.812 73.624 0.389 3.76 8 52.7 92.7
84 2 6 2 37.161 74.321 0.392 3.69 8 15.3 7.7
85 0 8 1 37.181 74.363 0.392 3.69 4 1.4 0.0
86 3 5 0 37.234 74.469 0.393 3.68 4 6.3 0.6
87 2 0 4 37.382 74.765 0.394 3.65 4 31.1 15.7
88 2 7 0 37.411 74.821 0.394 3.64 4 16.6 4.5
89 1 6 3 37.553 75.105 0.396 3.62 8 20.6 13.6
90 2 1 4 37.705 75.41 0.397 3.59 8 18.6 11.0
91 1 8 0 37.71 75.419 0.397 3.59 4 10.5 1.8
92 1 4 4 38.004 76.007 0.4 3.54 8 19.3 11.7
93 3 0 3 38.045 76.091 0.4 3.54 4 38.3 23.0
94 3 5 1 38.22 76.44 0.402 3.51 8 14.0 6.1
95 3 4 2 38.275 76.55 0.402 3.5 8 14.9 6.9
96 3 1 3 38.366 76.733 0.403 3.48 8 21.7 14.6
97 2 7 1 38.395 76.789 0.403 3.48 8 14.5 6.5
98 2 5 3 38.541 77.082 0.404 3.46 8 28.5 25.0
99 2 2 4 38.669 77.337 0.406 3.44 8 30.5 28.4
100 1 8 1 38.691 77.383 0.406 3.43 8 18.0 9.9
101 3 2 3 39.325 78.649 0.411 3.34 8 8.4 2.1
102 4 0 0 39.746 79.492 0.415 3.29 2 64.0 29.9
103 4 1 0 40.063 80.126 0.418 3.25 4 8.3 1.0
104 0 8 2 40.117 80.233 0.418 3.24 4 10.5 1.6
105 2 3 4 40.259 80.517 0.419 3.22 8 13.3 5.0
106 3 6 0 40.746 81.493 0.424 3.17 4 4.9 0.3
107 1 5 4 40.867 81.734 0.425 3.15 8 1.3 0.0
108 3 3 3 40.908 81.816 0.425 3.15 8 50.6 71.6
109 4 2 0 41.011 82.021 0.426 3.14 4 35.7 17.7
110 4 1 1 41.029 82.057 0.426 3.14 8 6.7 1.2
111 3 5 2 41.133 82.267 0.427 3.12 8 26.1 18.9
112 2 7 2 41.305 82.609 0.428 3.11 8 30.3 25.3
113 0 2 5 41.441 82.882 0.43 3.09 4 33.2 15.1
114 1 8 2 41.596 83.192 0.431 3.08 8 22.6 13.9
115 1 0 5 41.658 83.316 0.431 3.07 4 27.8 10.5
116 1 7 3 41.686 83.371 0.432 3.07 8 4.7 0.6
117 3 6 1 41.709 83.417 0.432 3.07 8 30.8 25.8
118 4 2 1 41.972 83.944 0.434 3.04 8 4.2 0.5
119 1 1 5 41.972 83.944 0.434 3.04 8 21.8 12.8
120 2 6 3 42.023 84.045 0.435 3.04 8 20.4 11.2
121 2 8 0 42.175 84.351 0.436 3.02 4 27.1 9.8
122 2 4 4 42.461 84.923 0.438 3.0 8 33.0 29.0
123 4 3 0 42.581 85.162 0.439 2.99 4 24.4 7.9
124 0 6 4 42.848 85.696 0.441 2.97 4 44.4 25.9
125 1 2 5 42.912 85.824 0.442 2.96 8 1.0 0.0
126 1 9 0 43.092 86.184 0.443 2.95 4 34.1 15.2
127 3 4 3 43.105 86.21 0.444 2.95 8 34.6 31.3
128 2 8 1 43.133 86.265 0.444 2.94 8 26.5 18.4
129 4 3 1 43.537 87.074 0.447 2.91 8 1.1 0.0
130 4 0 2 43.591 87.181 0.448 2.91 4 28.5 10.5
131 4 1 2 43.903 87.806 0.45 2.89 8 32.5 27.2
132 1 9 1 44.047 88.094 0.451 2.88 8 28.1 20.1
133 1 6 4 44.314 88.628 0.453 2.87 8 3.7 0.3
134 1 3 5 44.474 88.949 0.455 2.86 8 51.3 66.7
135 3 6 2 44.578 89.156 0.456 2.85 8 3.3 0.3
136 4 4 0 44.768 89.536 0.457 2.84 4 21.8 6.0
137 3 7 0 44.819 89.637 0.458 2.84 4 39.4 19.6
138 4 2 2 44.839 89.679 0.458 2.84 8 28.3 20.1
139 0 8 3 44.91 89.82 0.458 2.83 4 15.7 3.1
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 8.488 16.976 5.21865 318.7 27.7 28.1 5.6
2 1 1 0 10.14 20.281 4.3751 736.4 63.9 64.7 5.6
3 0 2 1 11.306 22.612 3.92895 381.7 33.1 33.5 5.6
4 1 0 1 11.855 23.709 3.74962 148.1 12.9 13.0 5.6
5 1 2 0 12.566 25.133 3.54037 84.0 7.3 7.3 5.6
6 1 1 1 12.608 25.216 3.52881 780.6 67.8 68.3 5.6
7 1 2 1 14.653 29.305 3.04511 58.6 5.1 5.1 5.6
8 0 0 2 14.956 29.911 2.98475 676.4 58.7 59.0 5.6
9 1 3 0 15.847 31.695 2.82077 222.9 19.4 19.4 5.6
10 1 3 1 17.579 35.159 2.55038 1152.0 100.0 100.0 5.7
11 1 1 2 18.204 36.409 2.46563 341.8 29.7 29.6 5.7
12 0 4 1 18.794 37.589 2.39089 150.9 13.1 13.1 5.7
13 2 1 0 19.153 38.307 2.34771 84.8 7.4 7.3 5.7
14 1 4 0 19.615 39.23 2.29454 215.6 18.7 18.6 5.7
15 1 2 2 19.727 39.455 2.28199 297.6 25.8 25.7 5.7
16 2 1 1 20.644 41.288 2.18481 273.5 23.7 23.6 5.7
17 2 2 1 22.025 44.051 2.05398 14.2 1.2 1.2 5.7
18 1 3 2 22.069 44.138 2.05011 15.0 1.3 1.3 5.7
19 0 4 2 23.085 46.171 1.96448 19.6 1.7 1.7 5.7
20 2 0 2 24.259 48.517 1.87481 184.8 16.0 15.8 5.7
21 1 5 1 24.982 49.964 1.82387 101.1 8.8 8.6 5.7
22 1 1 3 25.167 50.335 1.8113 133.1 11.6 11.4 5.8
23 2 4 0 25.794 51.588 1.77019 119.1 10.3 10.2 5.8
24 2 2 2 25.885 51.77 1.76441 391.1 34.0 33.4 5.8
25 0 6 0 26.283 52.566 1.73955 32.6 2.8 2.8 5.8
26 1 2 3 26.363 52.726 1.73463 49.1 4.3 4.2 5.8
27 2 4 1 26.992 53.984 1.69714 192.8 16.7 16.4 5.8
28 0 6 1 27.466 54.932 1.67008 164.7 14.3 14.0 5.8
29 2 3 2 27.821 55.642 1.65043 14.0 1.2 1.2 5.8
30 1 3 3 28.277 56.554 1.62598 263.4 22.9 22.3 5.8
31 0 4 3 29.132 58.264 1.58226 110.6 9.6 9.4 5.8
32 3 0 1 29.775 59.55 1.55113 15.2 1.3 1.3 5.8
33 3 1 1 30.136 60.271 1.53428 94.4 8.2 8.0 5.8
34 2 5 1 30.331 60.662 1.52533 37.3 3.2 3.1 5.8
35 2 4 2 30.392 60.784 1.52255 15.0 1.3 1.3 5.8
36 2 1 3 30.494 60.988 1.51795 32.3 2.8 2.7 5.8
37 0 6 2 30.832 61.664 1.50293 267.7 23.2 22.5 5.8
38 0 0 4 31.074 62.148 1.49238 183.2 15.9 15.4 5.8
39 3 2 1 31.203 62.405 1.48684 17.4 1.5 1.5 5.8
40 1 7 0 32.736 65.472 1.42442 79.1 6.9 6.6 5.9
41 3 3 1 32.937 65.874 1.4167 150.0 13.0 12.5 5.9
42 1 1 4 33.048 66.097 1.41246 36.5 3.2 3.1 5.9
43 2 6 0 33.103 66.206 1.41039 52.8 4.6 4.4 5.9
44 3 1 2 33.336 66.672 1.40166 12.3 1.1 1.0 5.9
45 1 5 3 33.93 67.86 1.37998 23.5 2.0 2.0 5.9
46 2 6 1 34.138 68.276 1.3726 20.5 1.8 1.7 5.9
47 3 4 0 34.272 68.543 1.36789 46.1 4.0 3.8 5.9
48 3 2 2 34.348 68.696 1.36522 129.5 11.2 10.8 5.9
49 3 4 1 35.29 70.579 1.33333 37.2 3.2 3.1 5.9
50 2 4 3 35.62 71.24 1.32258 26.3 2.3 2.2 5.9
51 1 3 4 35.727 71.455 1.31913 25.1 2.2 2.1 5.9
52 0 6 3 36.026 72.053 1.30965 104.3 9.1 8.6 5.9
53 1 7 2 36.812 73.624 1.28553 92.7 8.0 7.6 6.0
54 2 0 4 37.382 74.765 1.26872 20.2 1.7 1.7 6.0
55 1 6 3 37.553 75.105 1.26381 13.6 1.2 1.1 6.0
56 2 1 4 37.705 75.41 1.25945 12.8 1.1 1.1 6.0
57 1 4 4 38.004 76.007 1.25104 11.7 1.0 1.0 6.0
58 3 0 3 38.045 76.091 1.24988 23.0 2.0 1.9 6.0
59 3 1 3 38.366 76.733 1.24101 21.1 1.8 1.7 6.0
60 2 5 3 38.541 77.082 1.23626 25.0 2.2 2.0 6.0
61 2 2 4 38.669 77.337 1.23281 38.3 3.3 3.1 6.0
62 4 0 0 39.746 79.492 1.20472 29.9 2.6 2.4 6.0
63 3 3 3 40.908 81.816 1.17627 71.6 6.2 5.8 6.1
64 4 2 0 41.011 82.021 1.17385 19.0 1.6 1.5 6.1
65 3 5 2 41.133 82.267 1.17097 18.9 1.6 1.5 6.1
66 2 7 2 41.305 82.609 1.16698 25.3 2.2 2.0 6.1
67 0 2 5 41.441 82.882 1.16383 15.1 1.3 1.2 6.1
68 1 8 2 41.596 83.192 1.16028 13.9 1.2 1.1 6.1
69 3 6 1 41.709 83.417 1.15772 25.8 2.2 2.1 6.1
70 1 1 5 41.972 83.944 1.15179 12.8 1.1 1.0 6.1
71 2 4 4 42.461 84.923 1.141 29.0 2.5 2.3 6.1
72 0 6 4 42.848 85.696 1.13267 25.9 2.3 2.1 6.1
73 3 4 3 43.105 86.21 1.12723 65.0 5.6 5.2 6.1
74 4 1 2 43.903 87.806 1.11081 27.2 2.4 2.2 6.2
75 1 9 1 44.047 88.094 1.10792 20.1 1.7 1.6 6.2
76 1 3 5 44.474 88.949 1.09947 66.7 5.8 5.3 6.2
77 4 2 2 44.839 89.679 1.09241 39.7 3.4 3.1 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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