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
66, analogue
LiInSiO(4)
Orthorhombic P bnm Z = 4
R =0.0252 NR =552
8 .8 .1903
Ref.Str.:
G.J. Redhammer, G. Roth (2003)
* Acta Cryst., C59, i38-i4
Reserv:
In original - olivine[87]. See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.8448 alpha = 90.0
b = 10.5043 beta = 90.0
c = 6.0634 gamma = 90.0
Unit cell volume (cub. angs.) = 308.57
Molar volume ( cub.cm/mol.) = 46.47
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 0.0 Li = 1.00
2 0.9783 0.2757 0.25 0.0 In = 1.00
3 0.4241 0.0892 0.25 0.0 Si = 1.00
4 0.7535 0.0983 0.25 0.0 O = 1.00
5 0.2948 0.9463 0.25 0.0 O = 1.00
6 0.2717 0.164 0.0422 0.0 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 0.9783 0.2757 0.25
3 3 0.4241 0.0892 0.25
4 4 0.7535 0.0983 0.25
5 5 0.2948 0.9463 0.25
6 6 0.2717 0.164 0.0422
7 2 0.0217 0.7243 0.75
8 3 0.5759 0.9108 0.75
9 4 0.2465 0.9017 0.75
10 5 0.7052 0.0537 0.75
11 6 0.7283 0.836 0.9578
12 1 0.0 0.0 0.5
13 6 0.7283 0.836 0.5422
14 6 0.2717 0.164 0.4578
15 1 0.5 0.5 0.0
16 2 0.5217 0.7757 0.25
17 3 0.0759 0.5892 0.25
18 4 0.7465 0.5983 0.25
19 5 0.2052 0.4463 0.25
20 6 0.2283 0.664 0.0422
21 2 0.4783 0.2243 0.75
22 3 0.9241 0.4108 0.75
23 4 0.2535 0.4017 0.75
24 5 0.7948 0.5537 0.75
25 6 0.7717 0.336 0.9578
26 1 0.5 0.5 0.5
27 6 0.7717 0.336 0.5422
28 6 0.2283 0.664 0.4578
X-ray density (g/cm cub.) = 4.6
MU (1/cm) = 652.958 Mass attenuation coefficient (cm**2/g) = 141.9
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 6
2.1887 4
2.1577 5
2.1828 6
2.1887 4
2.1577 5
2.1828 6
2 In 3.192 6
2.1584 4
2.2331 6
2.2331 6
2.1023 5
2.1312 6
2.1312 6
3 Si 2.1 4
1.5988 4
1.6262 5
1.6583 6
1.6583 6
4 O 3.264 10
3.0703 5
2.7364 5
2.8924 6
2.7408 6
3.0766 5
3.0766 5
2.8924 6
2.7408 6
3.0632 6
3.0632 6
5 O 3.264 10
2.7364 4
3.0703 4
2.613 6
3.0766 4
3.0766 4
2.9818 6
2.9818 6
2.613 6
3.2384 6
3.2384 6
6 O 3.264 9
2.7408 4
2.8924 4
2.613 5
2.9818 5
2.5199 6
3.2384 5
3.0632 4
3.0655 6
3.0655 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 8.433 16.867 0.095 90.04 2 137.6 3582.5
2 1 1 0 10.084 20.167 0.114 62.33 4 67.1 1178.1
3 0 2 1 11.188 22.376 0.126 50.23 4 7.8 12.8
4 1 0 1 11.742 23.485 0.132 45.41 4 10.4 20.8
5 1 2 0 12.492 24.984 0.14 39.88 4 31.5 166.7
6 1 1 1 12.493 24.986 0.14 39.87 8 148.5 7383.3
7 1 2 1 14.528 29.056 0.163 28.96 8 34.6 291.2
8 0 0 2 14.719 29.438 0.165 28.16 2 208.8 2578.0
9 1 3 0 15.749 31.499 0.176 24.36 4 89.8 825.6
10 0 4 0 17.057 34.114 0.19 20.49 2 70.9 216.5
11 0 2 2 17.06 34.119 0.19 20.48 4 96.9 807.5
12 1 3 1 17.439 34.878 0.195 19.53 8 169.5 4715.2
13 1 1 2 17.973 35.945 0.2 18.28 8 64.9 646.4
14 2 0 0 18.541 37.082 0.206 17.07 2 96.7 335.4
15 0 4 1 18.642 37.283 0.207 16.87 4 107.5 818.8
16 2 1 0 19.046 38.092 0.212 16.09 4 65.1 286.3
17 1 4 0 19.49 38.98 0.217 15.29 4 67.9 296.3
18 1 2 2 19.492 38.984 0.217 15.28 8 43.3 240.3
19 2 2 0 20.498 40.996 0.227 13.67 4 124.3 887.1
20 2 1 1 20.499 40.997 0.227 13.67 8 32.3 120.0
21 1 4 1 20.916 41.833 0.232 13.06 8 12.6 17.5
22 1 3 2 21.826 43.652 0.241 11.87 8 58.0 335.3
23 2 2 1 21.87 43.74 0.242 11.82 8 43.4 186.8
24 2 3 0 22.747 45.494 0.251 10.82 4 12.9 7.5
25 0 4 2 22.834 45.668 0.252 10.72 4 95.5 411.1
26 1 5 0 23.556 47.111 0.259 9.99 4 69.1 200.4
27 2 3 1 24.016 48.033 0.264 9.56 8 17.3 24.0
28 2 0 2 24.018 48.036 0.264 9.56 4 149.3 895.2
29 0 2 3 24.102 48.203 0.265 9.49 4 30.9 38.0
30 1 0 3 24.39 48.78 0.268 9.23 4 29.8 34.5
31 2 1 2 24.43 48.859 0.268 9.2 8 43.3 145.2
32 1 5 1 24.793 49.586 0.272 8.9 8 92.9 645.4
33 1 4 2 24.795 49.589 0.272 8.9 8 1.5 0.2
34 1 1 3 24.797 49.594 0.272 8.89 8 127.0 1205.9
35 2 4 0 25.633 51.266 0.281 8.25 4 130.8 592.9
36 2 2 2 25.635 51.27 0.281 8.25 8 156.5 1697.4
37 1 2 3 25.99 51.98 0.284 7.99 8 43.8 129.0
38 0 6 0 26.103 52.205 0.286 7.91 2 94.1 147.1
39 2 4 1 26.8 53.6 0.293 7.45 8 105.9 701.7
40 0 6 1 27.255 54.51 0.297 7.17 4 144.9 632.5
41 2 3 2 27.559 55.119 0.3 6.99 8 12.1 8.6
42 1 6 0 27.893 55.786 0.304 6.8 4 3.1 0.3
43 1 3 3 27.897 55.795 0.304 6.8 8 144.0 1185.6
44 1 5 2 28.266 56.532 0.307 6.6 8 72.3 290.0
45 0 4 3 28.745 57.491 0.312 6.36 4 119.8 383.3
46 3 1 0 28.854 57.708 0.313 6.3 4 0.8 0.0
47 1 6 1 28.997 57.994 0.315 6.23 8 10.2 5.4
48 2 5 0 29.034 58.068 0.315 6.21 4 17.8 8.3
49 3 0 1 29.578 59.155 0.32 5.96 4 22.0 12.2
50 3 2 0 29.935 59.869 0.324 5.8 4 41.9 42.8
51 3 1 1 29.935 59.87 0.324 5.8 8 114.6 640.0
52 2 5 1 30.111 60.222 0.326 5.73 8 51.5 127.4
53 2 4 2 30.113 60.225 0.326 5.73 8 77.9 291.6
54 2 1 3 30.115 60.23 0.326 5.72 8 22.2 23.8
55 1 4 3 30.432 60.865 0.329 5.59 8 3.5 0.6
56 0 6 2 30.535 61.071 0.33 5.55 4 156.4 570.3
57 0 0 4 30.541 61.081 0.33 5.55 2 213.2 529.7
58 3 2 1 30.993 61.985 0.334 5.37 8 63.3 180.7
59 2 2 3 31.169 62.338 0.336 5.3 8 10.6 5.0
60 3 3 0 31.686 63.372 0.341 5.12 4 55.2 65.5
61 0 2 4 31.931 63.861 0.343 5.03 4 91.6 177.5
62 1 6 2 32.166 64.331 0.346 4.95 8 8.8 3.2
63 1 7 0 32.505 65.009 0.349 4.84 4 139.2 393.9
64 1 1 4 32.511 65.023 0.349 4.84 8 43.0 75.0
65 3 3 1 32.711 65.422 0.351 4.77 8 116.2 541.8
66 2 6 0 32.878 65.757 0.352 4.72 4 90.6 162.9
67 2 3 3 32.882 65.764 0.352 4.72 8 22.1 19.4
68 3 1 2 33.05 66.101 0.354 4.67 8 23.6 21.8
69 2 5 2 33.217 66.434 0.356 4.62 8 30.4 35.9
70 1 7 1 33.517 67.034 0.358 4.53 8 31.2 37.0
71 1 5 3 33.52 67.04 0.358 4.53 8 77.2 227.0
72 1 2 4 33.523 67.046 0.358 4.53 8 8.9 3.0
73 2 6 1 33.885 67.77 0.362 4.43 8 83.8 261.3
74 3 4 0 34.052 68.104 0.363 4.38 4 32.6 19.6
75 3 2 2 34.054 68.108 0.363 4.38 8 81.0 241.5
76 3 4 1 35.042 70.084 0.373 4.13 8 66.5 153.5
77 1 3 4 35.177 70.353 0.374 4.1 8 64.1 141.8
78 2 4 3 35.207 70.415 0.374 4.1 8 72.0 178.6
79 0 6 3 35.598 71.195 0.378 4.01 4 123.1 254.9
80 3 3 2 35.696 71.392 0.379 3.99 8 61.0 124.6
81 0 8 0 35.919 71.838 0.381 3.94 2 12.8 1.4
82 0 4 4 35.925 71.851 0.381 3.94 4 67.9 76.3
83 1 7 2 36.47 72.941 0.386 3.82 8 125.1 502.9
84 2 6 2 36.825 73.65 0.389 3.75 8 50.8 81.5
85 2 0 4 36.83 73.66 0.389 3.75 4 101.9 163.8
86 0 8 1 36.887 73.774 0.39 3.74 4 73.1 83.9
87 3 5 0 36.985 73.971 0.391 3.72 4 65.4 66.9
88 1 6 3 37.115 74.229 0.392 3.7 8 16.7 8.7
89 2 7 0 37.144 74.288 0.392 3.69 4 30.7 14.6
90 2 1 4 37.15 74.301 0.392 3.69 8 45.5 64.2
91 1 8 0 37.431 74.862 0.395 3.64 4 0.9 0.0
92 1 4 4 37.437 74.874 0.395 3.64 8 28.2 24.3
93 3 0 3 37.628 75.256 0.396 3.61 4 3.2 0.2
94 3 5 1 37.943 75.886 0.399 3.55 8 61.3 112.2
95 3 4 2 37.944 75.888 0.399 3.55 8 5.4 0.9
96 3 1 3 37.946 75.892 0.399 3.55 8 94.2 265.0
97 2 7 1 38.1 76.201 0.401 3.53 8 7.4 1.6
98 2 5 3 38.103 76.207 0.401 3.53 8 49.0 71.2
99 2 2 4 38.106 76.212 0.401 3.53 8 100.7 300.4
100 1 8 1 38.385 76.769 0.403 3.48 8 23.1 15.7
101 3 2 3 38.895 77.791 0.408 3.4 8 46.7 62.5
102 4 0 0 39.492 78.983 0.413 3.32 2 130.3 118.4
103 2 3 4 39.683 79.365 0.414 3.3 8 8.2 1.9
104 0 8 2 39.739 79.479 0.415 3.29 4 19.5 5.3
105 4 1 0 39.805 79.61 0.416 3.28 4 65.7 59.5
106 1 5 4 40.276 80.552 0.42 3.22 8 52.5 74.7
107 3 6 0 40.46 80.919 0.421 3.2 4 33.8 15.4
108 3 3 3 40.463 80.926 0.421 3.2 8 104.4 292.6
109 0 2 5 40.685 81.37 0.423 3.17 4 13.6 2.5
110 4 2 0 40.742 81.484 0.424 3.17 4 92.4 113.5
111 4 1 1 40.743 81.485 0.424 3.17 8 1.5 0.1
112 3 5 2 40.773 81.546 0.424 3.16 8 79.4 167.6
113 1 0 5 40.903 81.807 0.425 3.15 4 19.5 5.0
114 2 7 2 40.927 81.854 0.425 3.15 8 38.5 39.2
115 1 8 2 41.206 82.412 0.428 3.12 8 39.1 40.1
116 1 7 3 41.208 82.416 0.428 3.12 8 25.6 17.2
117 1 1 5 41.214 82.429 0.428 3.12 8 94.8 235.0
118 3 6 1 41.394 82.787 0.429 3.1 8 14.2 5.2
119 2 6 3 41.551 83.101 0.431 3.08 8 79.4 163.0
120 4 2 1 41.675 83.35 0.432 3.07 8 26.8 18.5
121 2 8 0 41.857 83.715 0.433 3.05 4 44.6 25.5
122 2 4 4 41.863 83.727 0.433 3.05 8 92.6 220.0
123 1 2 5 42.145 84.29 0.436 3.03 8 14.7 5.5
124 0 6 4 42.234 84.468 0.436 3.02 4 89.2 100.9
125 4 3 0 42.294 84.589 0.437 3.01 4 17.3 3.8
126 3 4 3 42.636 85.272 0.44 2.98 8 70.8 125.5
127 1 9 0 42.754 85.508 0.441 2.97 4 105.7 139.5
128 2 8 1 42.786 85.572 0.441 2.97 8 95.5 227.8
129 4 3 1 43.222 86.444 0.445 2.94 8 21.6 11.5
130 4 0 2 43.223 86.446 0.445 2.94 4 79.1 77.2
131 4 1 2 43.532 87.063 0.447 2.92 8 81.0 160.8
132 1 9 1 43.68 87.361 0.448 2.91 8 36.2 31.9
133 1 6 4 43.686 87.372 0.448 2.9 8 4.8 0.6
134 1 3 5 43.69 87.379 0.448 2.9 8 117.6 337.7
135 3 6 2 44.177 88.354 0.452 2.87 8 28.5 19.7
136 0 8 3 44.392 88.784 0.454 2.86 4 48.0 27.6
137 0 4 5 44.398 88.797 0.454 2.86 4 66.0 52.4
138 4 4 0 44.455 88.91 0.455 2.86 4 66.6 53.2
139 4 2 2 44.456 88.913 0.455 2.86 8 81.7 160.2
140 3 7 0 44.484 88.968 0.455 2.86 4 96.6 112.0
141 3 1 4 44.49 88.98 0.455 2.86 8 5.6 0.8
142 2 5 4 44.643 89.285 0.456 2.85 8 19.6 9.1
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 8.433 16.867 5.25215 3582.5 47.5 47.7 5.6
2 1 1 0 10.084 20.167 4.39941 1178.1 15.6 15.7 5.6
3 1 1 1 12.493 24.986 3.56085 7550.1 100.0 100.0 5.6
4 1 2 1 14.528 29.056 3.07068 291.2 3.9 3.8 5.6
5 0 0 2 14.719 29.438 3.0317 2578.0 34.1 34.0 5.6
6 1 3 0 15.749 31.499 2.83787 825.6 10.9 10.9 5.6
7 0 2 2 17.06 34.119 2.62567 1024.0 13.6 13.5 5.7
8 1 3 1 17.439 34.878 2.57028 4715.2 62.5 61.9 5.7
9 1 1 2 17.973 35.945 2.49636 646.4 8.6 8.5 5.7
10 2 0 0 18.541 37.082 2.4224 335.4 4.4 4.4 5.7
11 0 4 1 18.642 37.283 2.40977 818.8 10.8 10.7 5.7
12 2 1 0 19.046 38.092 2.36045 286.3 3.8 3.7 5.7
13 1 4 0 19.49 38.98 2.30873 536.6 7.1 7.0 5.7
14 2 2 0 20.498 40.996 2.19971 1007.1 13.3 13.2 5.7
15 1 3 2 21.826 43.652 2.07181 335.3 4.4 4.4 5.7
16 2 2 1 21.87 43.74 2.06784 186.8 2.5 2.4 5.7
17 0 4 2 22.834 45.668 1.98495 411.1 5.4 5.3 5.7
18 1 5 0 23.556 47.111 1.92745 200.4 2.7 2.6 5.7
19 2 0 2 24.018 48.036 1.89248 919.1 12.2 11.9 5.7
20 2 1 2 24.43 48.859 1.86249 145.2 1.9 1.9 5.7
21 1 1 3 24.797 49.594 1.83659 1851.4 24.5 23.9 5.7
22 2 2 2 25.635 51.27 1.78042 2290.3 30.3 29.6 5.8
23 1 2 3 25.99 51.98 1.75776 129.0 1.7 1.7 5.8
24 0 6 0 26.103 52.205 1.75072 147.1 1.9 1.9 5.8
25 2 4 1 26.8 53.6 1.70841 701.7 9.3 9.0 5.8
26 0 6 1 27.255 54.51 1.68201 632.5 8.4 8.1 5.8
27 1 3 3 27.897 55.795 1.64629 1185.6 15.7 15.2 5.8
28 1 5 2 28.266 56.532 1.62655 290.0 3.8 3.7 5.8
29 0 4 3 28.745 57.491 1.60168 383.3 5.1 4.9 5.8
30 3 1 1 29.935 59.87 1.54359 682.8 9.0 8.7 5.8
31 2 4 2 30.113 60.225 1.53534 442.8 5.9 5.6 5.8
32 0 6 2 30.535 61.071 1.51609 1100.0 14.6 14.0 5.8
33 3 2 1 30.993 61.985 1.4959 180.7 2.4 2.3 5.8
34 0 2 4 31.931 63.861 1.4564 177.5 2.4 2.3 5.9
35 1 7 0 32.505 65.009 1.43343 468.9 6.2 5.9 5.9
36 3 3 1 32.711 65.422 1.42538 541.8 7.2 6.9 5.9
37 2 6 0 32.878 65.757 1.41893 182.4 2.4 2.3 5.9
38 1 5 3 33.52 67.04 1.39486 266.9 3.5 3.4 5.9
39 2 6 1 33.885 67.77 1.38161 261.3 3.5 3.3 5.9
40 3 2 2 34.054 68.108 1.37557 261.1 3.5 3.3 5.9
41 3 4 1 35.042 70.084 1.34154 153.5 2.0 1.9 5.9
42 1 3 4 35.177 70.353 1.33706 141.8 1.9 1.8 5.9
43 2 4 3 35.207 70.415 1.33604 178.6 2.4 2.2 5.9
44 0 6 3 35.598 71.195 1.3233 254.9 3.4 3.2 5.9
45 3 3 2 35.696 71.392 1.32014 124.6 1.7 1.6 5.9
46 0 4 4 35.925 71.851 1.31283 77.6 1.0 1.0 5.9
47 1 7 2 36.47 72.941 1.29588 502.9 6.7 6.3 6.0
48 2 0 4 36.83 73.66 1.285 245.3 3.2 3.1 6.0
49 0 8 1 36.887 73.774 1.28329 83.9 1.1 1.0 6.0
50 2 1 4 37.15 74.301 1.27549 87.6 1.2 1.1 6.0
51 3 1 3 37.946 75.892 1.25265 378.1 5.0 4.7 6.0
52 2 2 4 38.106 76.212 1.24818 373.1 4.9 4.6 6.0
53 4 0 0 39.492 78.983 1.2112 118.4 1.6 1.5 6.0
54 3 3 3 40.463 80.926 1.18695 308.0 4.1 3.8 6.1
55 4 2 0 40.742 81.484 1.18022 113.6 1.5 1.4 6.1
56 3 5 2 40.773 81.546 1.17949 167.6 2.2 2.1 6.1
57 1 1 5 41.214 82.429 1.16908 292.3 3.9 3.6 6.1
58 2 6 3 41.551 83.101 1.16132 163.0 2.2 2.0 6.1
59 2 4 4 41.863 83.727 1.15422 245.5 3.3 3.0 6.1
60 0 6 4 42.234 84.468 1.14598 100.9 1.3 1.2 6.1
61 3 4 3 42.636 85.272 1.13722 125.5 1.7 1.5 6.1
62 1 9 0 42.754 85.508 1.13468 139.5 1.8 1.7 6.1
63 2 8 1 42.786 85.572 1.13399 227.8 3.0 2.8 6.1
64 4 0 2 43.223 86.446 1.12476 88.8 1.2 1.1 6.1
65 4 1 2 43.532 87.063 1.11837 160.8 2.1 1.9 6.1
66 1 3 5 43.69 87.379 1.11513 370.2 4.9 4.5 6.2
67 0 4 5 44.398 88.797 1.10096 80.0 1.1 1.0 6.2
68 3 7 0 44.484 88.968 1.09929 325.3 4.3 3.9 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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