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
27, t-olivine, syn, f-olivine, s-forsterite
[Mg(1.79)Fe(0.21)]SiO(4)
Orthorhombic P nma Z = 4
R =0.036 NR =978
24 .1 .1992
Ref.Str.:
Nover G., Will G. (1981)
* Z. Kristallogr., 155, 27-45
Reserv:
In original - olivine[12].
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.2424 alpha = 90.0
b = 6.0028 beta = 90.0
c = 4.7673 gamma = 90.0
Unit cell volume (cub. angs.) = 293.11
Molar volume ( cub.cm/mol.) = 44.14
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 Mg = 0.88, Fe = 0.12
2 0.2777 0.25 0.9893 0.0 Mg = 0.9 , Fe = 0.1
3 0.0945 0.25 0.4268 0.0 Si = 1.00
4 0.0916 0.25 0.7659 0.0 O = 1.00
5 0.4476 0.25 0.2206 0.0 O = 1.00
6 0.1634 0.0333 0.2785 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 0.2777 0.25 0.9893
3 3 0.0945 0.25 0.4268
4 4 0.0916 0.25 0.7659
5 5 0.4476 0.25 0.2206
6 6 0.1634 0.0333 0.2785
7 1 0.5 0.0 0.5
8 2 0.2223 0.75 0.4893
9 3 0.4055 0.75 0.9268
10 4 0.4084 0.75 0.2659
11 5 0.0524 0.75 0.7206
12 6 0.3366 0.9667 0.7785
13 1 0.5 0.5 0.5
14 6 0.3366 0.5333 0.7785
15 1 0.0 0.5 0.0
16 6 0.1634 0.4667 0.2785
17 2 0.7777 0.25 0.5107
18 3 0.5945 0.25 0.0732
19 4 0.5916 0.25 0.7341
20 5 0.9476 0.25 0.2794
21 6 0.6634 0.0333 0.2215
22 2 0.7223 0.75 0.0107
23 3 0.9055 0.75 0.5732
24 4 0.9084 0.75 0.2341
25 5 0.5524 0.75 0.7794
26 6 0.8366 0.9667 0.7215
27 6 0.8366 0.5333 0.7215
28 6 0.6634 0.4667 0.2215
X-ray density (g/cm cub.) = 3.34
MU (1/cm) = 177.312 Mass attenuation coefficient (cm**2/g) = 53.063
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 6
2.0923 4
2.1456 6
2.0771 5
2.0771 5
2.0923 4
2.1456 6
2 Mg ,Fe 2.592 6
2.1835 4
2.0601 5
2.2279 6
2.0654 6
2.0654 6
2.2279 6
3 Si 2.1 4
1.6169 4
1.6401 6
1.6401 6
1.6606 5
4 O 3.264 12
2.8644 6
2.7626 6
3.0358 5
3.0358 5
3.0319 6
3.0319 6
2.8644 6
2.7626 6
2.858 5
2.7485 5
3.1238 6
3.1238 6
5 O 3.264 10
3.2002 6
3.0358 4
3.0358 4
2.9371 6
2.9371 6
3.2002 6
2.858 4
2.7485 4
2.5647 6
2.5647 6
6 O 3.264 10
2.7626 4
2.8644 4
3.2002 5
3.0319 4
2.9371 5
2.9981 6
2.9981 6
2.6016 6
2.5647 5
3.1238 4
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 2 0 0 8.651 17.301 0.098 85.47 2 30.3 182.3
2 1 0 1 10.266 20.532 0.116 60.06 4 4.4 5.5
3 2 1 0 11.403 22.806 0.128 48.27 4 46.1 478.3
4 0 1 1 11.907 23.815 0.134 44.1 4 28.1 162.2
5 1 1 1 12.686 25.372 0.143 38.6 8 21.7 169.4
6 2 0 1 12.753 25.506 0.143 38.18 4 25.6 116.7
7 2 1 1 14.793 29.587 0.166 27.86 8 14.3 52.9
8 0 2 0 14.871 29.742 0.167 27.55 2 46.1 136.0
9 3 0 1 16.111 32.223 0.18 23.19 4 75.4 614.6
10 2 2 0 17.306 34.611 0.193 19.85 4 15.9 23.5
11 4 0 0 17.507 35.014 0.195 19.36 2 6.6 1.9
12 3 1 1 17.802 35.605 0.198 18.66 8 63.6 703.3
13 1 2 1 18.207 36.414 0.203 17.77 8 74.5 919.4
14 0 0 2 18.854 37.707 0.21 16.45 2 18.6 13.2
15 4 1 0 19.09 38.179 0.212 16.01 4 39.5 116.3
16 1 0 2 19.377 38.755 0.215 15.49 4 35.1 88.8
17 2 2 1 19.787 39.573 0.22 14.78 8 49.6 339.3
18 4 0 1 19.966 39.933 0.222 14.49 4 60.2 244.5
19 1 1 2 20.839 41.677 0.231 13.17 8 36.0 158.8
20 2 0 2 20.882 41.764 0.231 13.11 4 6.3 2.4
21 4 1 1 21.394 42.788 0.237 12.42 8 0.1 0.0
22 3 2 1 22.209 44.418 0.245 11.42 8 21.0 46.9
23 2 1 2 22.262 44.523 0.246 11.36 8 5.0 2.6
24 3 0 2 23.211 46.422 0.256 10.33 4 22.7 24.9
25 4 2 0 23.292 46.584 0.257 10.25 4 23.2 25.7
26 5 0 1 24.159 48.318 0.266 9.44 4 36.3 58.0
27 0 2 2 24.372 48.745 0.268 9.25 4 16.9 12.3
28 2 3 0 24.412 48.825 0.268 9.22 4 7.3 2.3
29 3 1 2 24.487 48.973 0.269 9.15 8 3.1 0.8
30 0 3 1 24.676 49.353 0.271 8.99 4 7.9 2.6
31 1 2 2 24.801 49.601 0.272 8.89 8 10.3 8.8
32 1 3 1 25.101 50.202 0.275 8.65 8 22.2 39.5
33 4 2 1 25.287 50.575 0.277 8.51 8 5.5 2.4
34 5 1 1 25.399 50.797 0.278 8.42 8 22.0 38.0
35 2 2 2 26.054 52.108 0.285 7.95 8 93.1 641.0
36 4 0 2 26.199 52.399 0.287 7.85 4 71.9 189.0
37 2 3 1 26.344 52.688 0.288 7.75 8 23.5 40.0
38 6 0 0 26.823 53.645 0.293 7.44 2 2.9 0.1
39 4 1 2 27.372 54.744 0.298 7.1 8 44.0 128.0
40 6 1 0 27.977 55.955 0.305 6.76 4 63.6 127.1
41 3 2 2 28.055 56.109 0.305 6.72 8 20.0 25.0
42 3 3 1 28.33 56.661 0.308 6.57 8 53.9 177.9
43 6 0 1 28.639 57.278 0.311 6.41 4 17.6 9.2
44 5 2 1 28.887 57.773 0.314 6.29 8 28.3 47.0
45 4 3 0 29.246 58.491 0.317 6.11 4 55.7 88.2
46 1 0 3 29.375 58.75 0.318 6.05 4 34.6 33.8
47 5 0 2 29.723 59.446 0.322 5.89 4 7.3 1.5
48 6 1 1 29.747 59.493 0.322 5.88 8 2.6 0.4
49 0 1 3 30.094 60.189 0.325 5.73 4 22.0 12.9
50 1 1 3 30.466 60.933 0.329 5.58 8 25.2 32.9
51 2 0 3 30.499 60.998 0.329 5.56 4 30.0 23.3
52 1 3 2 30.545 61.089 0.33 5.55 8 25.2 32.9
53 4 2 2 30.708 61.417 0.331 5.48 8 30.7 48.2
54 5 1 2 30.807 61.613 0.332 5.44 8 31.2 49.2
55 0 4 0 30.883 61.765 0.333 5.41 2 146.5 270.3
56 4 3 1 30.969 61.939 0.334 5.38 8 11.3 6.4
57 6 2 0 31.272 62.545 0.337 5.26 4 124.1 377.4
58 2 1 3 31.567 63.134 0.34 5.16 8 16.0 12.4
59 2 3 2 31.644 63.288 0.341 5.13 8 17.0 13.8
60 3 0 3 32.321 64.642 0.347 4.9 4 38.1 33.1
61 2 4 0 32.335 64.669 0.347 4.89 4 22.6 11.6
62 1 4 1 32.911 65.823 0.353 4.71 8 0.7 0.0
63 6 2 1 32.934 65.868 0.353 4.7 8 9.3 3.8
64 3 1 3 33.356 66.713 0.357 4.58 8 41.7 74.0
65 7 0 1 33.413 66.826 0.357 4.56 4 72.1 110.3
66 3 3 2 33.431 66.862 0.358 4.56 8 4.8 1.0
67 1 2 3 33.615 67.23 0.359 4.5 8 44.1 81.6
68 6 0 2 33.711 67.423 0.36 4.48 4 9.4 1.8
69 5 2 2 33.938 67.875 0.362 4.42 8 10.7 4.7
70 2 4 1 33.968 67.937 0.363 4.41 8 8.9 3.3
71 5 3 1 34.185 68.37 0.365 4.35 8 14.7 8.8
72 7 1 1 34.432 68.864 0.367 4.29 8 13.4 7.2
73 2 2 3 34.661 69.323 0.369 4.23 8 67.5 179.6
74 6 1 2 34.726 69.452 0.37 4.21 8 17.0 11.4
75 4 0 3 34.784 69.568 0.37 4.2 4 56.6 62.6
76 3 4 1 35.697 71.393 0.379 3.98 8 51.5 98.5
77 4 1 3 35.785 71.569 0.38 3.97 8 34.6 44.2
78 4 3 2 35.857 71.713 0.38 3.95 8 21.9 17.7
79 3 2 3 36.375 72.75 0.385 3.84 8 2.2 0.2
80 6 3 0 36.379 72.759 0.385 3.84 4 51.2 46.9
81 4 4 0 36.508 73.016 0.386 3.81 4 14.4 3.7
82 8 0 0 36.987 73.975 0.391 3.72 2 14.0 1.7
83 0 4 2 37.339 74.679 0.394 3.66 4 35.7 21.8
84 7 2 1 37.412 74.824 0.394 3.64 8 15.2 7.9
85 1 4 2 37.675 75.35 0.397 3.6 8 21.9 16.1
86 6 2 2 37.696 75.392 0.397 3.6 8 22.3 16.6
87 5 0 3 37.841 75.683 0.398 3.57 4 21.3 7.5
88 6 3 1 37.933 75.867 0.399 3.55 8 18.4 11.2
89 8 1 0 37.964 75.929 0.399 3.55 4 15.6 4.0
90 4 4 1 38.06 76.12 0.4 3.53 8 26.0 22.2
91 7 0 2 38.149 76.298 0.401 3.52 4 19.9 6.5
92 0 3 3 38.243 76.486 0.402 3.5 4 37.2 22.6
93 8 0 1 38.533 77.065 0.404 3.46 4 13.4 2.9
94 1 3 3 38.576 77.151 0.405 3.45 8 13.4 5.8
95 2 4 2 38.675 77.351 0.406 3.44 8 2.4 0.2
96 4 2 3 38.723 77.446 0.406 3.43 8 19.6 12.2
97 5 1 3 38.811 77.622 0.407 3.42 8 6.9 1.5
98 5 3 2 38.881 77.762 0.407 3.41 8 30.7 29.8
99 7 1 2 39.116 78.232 0.41 3.37 8 12.2 4.7
100 8 1 1 39.497 78.994 0.413 3.32 8 10.4 3.3
101 2 3 3 39.569 79.138 0.413 3.31 8 7.1 1.5
102 0 0 4 40.263 80.527 0.42 3.22 2 82.4 51.0
103 3 4 2 40.326 80.652 0.42 3.21 8 18.6 10.4
104 1 0 4 40.592 81.183 0.422 3.18 4 9.8 1.4
105 8 2 0 40.851 81.702 0.425 3.15 4 25.2 9.3
106 5 4 1 41.032 82.063 0.426 3.13 8 30.2 26.6
107 3 3 3 41.211 82.421 0.428 3.12 8 36.6 38.9
108 2 5 0 41.223 82.447 0.428 3.11 4 38.5 21.5
109 0 5 1 41.425 82.849 0.429 3.09 4 30.1 13.0
110 6 0 3 41.471 82.943 0.43 3.09 4 1.0 0.0
111 1 1 4 41.544 83.088 0.43 3.08 8 9.3 2.5
112 2 0 4 41.573 83.146 0.431 3.08 4 3.0 0.1
113 5 2 3 41.682 83.364 0.432 3.07 8 42.6 52.0
114 1 5 1 41.751 83.502 0.432 3.06 8 9.8 2.7
115 7 2 2 41.982 83.964 0.434 3.04 8 30.8 26.9
116 7 3 1 42.213 84.426 0.436 3.02 8 15.2 6.5
117 8 2 1 42.357 84.715 0.437 3.01 8 27.3 20.9
118 6 1 3 42.42 84.84 0.438 3.0 8 33.1 30.6
119 6 3 2 42.489 84.978 0.438 3.0 8 18.0 9.0
120 2 1 4 42.522 85.043 0.439 2.99 8 8.2 1.9
121 4 4 2 42.612 85.225 0.439 2.98 8 46.2 59.2
122 2 5 1 42.728 85.455 0.44 2.98 8 1.7 0.1
123 8 0 2 43.073 86.147 0.443 2.95 4 48.5 32.3
124 6 4 0 43.112 86.223 0.444 2.95 4 12.7 2.2
125 3 0 4 43.2 86.401 0.444 2.94 4 21.7 6.4
126 4 3 3 43.489 86.979 0.447 2.92 8 39.2 41.7
127 8 1 2 44.018 88.036 0.451 2.88 8 19.2 9.9
128 0 2 4 44.059 88.117 0.451 2.88 4 5.7 0.4
129 9 0 1 44.096 88.192 0.452 2.88 4 8.1 0.9
130 3 1 4 44.145 88.29 0.452 2.88 8 2.7 0.2
131 3 5 1 44.35 88.7 0.454 2.86 8 43.7 50.8
132 1 2 4 44.383 88.765 0.454 2.86 8 32.5 28.2
133 6 4 1 44.609 89.218 0.456 2.85 8 11.6 3.6
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 2 0 0 8.651 17.301 5.1212 182.3 19.8 20.1 5.6
2 2 1 0 11.403 22.806 3.89601 478.3 52.0 52.6 5.6
3 0 1 1 11.907 23.815 3.73321 162.2 17.6 17.8 5.6
4 1 1 1 12.686 25.372 3.50749 169.4 18.4 18.6 5.6
5 2 0 1 12.753 25.506 3.4894 116.7 12.7 12.8 5.6
6 2 1 1 14.793 29.587 3.01674 52.9 5.8 5.8 5.6
7 0 2 0 14.871 29.742 3.0014 136.0 14.8 14.9 5.6
8 3 0 1 16.111 32.223 2.77574 614.6 66.8 67.1 5.6
9 2 2 0 17.306 34.611 2.58945 23.5 2.6 2.6 5.7
10 3 1 1 17.802 35.605 2.51942 703.3 76.5 76.6 5.7
11 1 2 1 18.207 36.414 2.46527 919.4 100.0 100.0 5.7
12 0 0 2 18.854 37.707 2.38365 13.2 1.4 1.4 5.7
13 4 1 0 19.09 38.179 2.35527 116.3 12.6 12.6 5.7
14 1 0 2 19.377 38.755 2.32161 88.8 9.7 9.6 5.7
15 2 2 1 19.787 39.573 2.27545 339.3 36.9 36.8 5.7
16 4 0 1 19.966 39.933 2.2558 244.5 26.6 26.5 5.7
17 1 1 2 20.839 41.677 2.16531 158.8 17.3 17.2 5.7
18 3 2 1 22.209 44.418 2.03786 46.9 5.1 5.1 5.7
19 3 0 2 23.211 46.422 1.95444 24.9 2.7 2.7 5.7
20 4 2 0 23.292 46.584 1.948 25.7 2.8 2.8 5.7
21 5 0 1 24.159 48.318 1.88208 58.0 6.3 6.2 5.7
22 0 2 2 24.372 48.745 1.86661 12.3 1.3 1.3 5.7
23 1 3 1 25.101 50.202 1.81578 39.5 4.3 4.2 5.7
24 5 1 1 25.399 50.797 1.79588 38.0 4.1 4.1 5.8
25 2 2 2 26.054 52.108 1.75374 641.0 69.7 68.5 5.8
26 4 0 2 26.199 52.399 1.7447 189.0 20.6 20.2 5.8
27 2 3 1 26.344 52.688 1.7358 40.0 4.3 4.3 5.8
28 4 1 2 27.372 54.744 1.67537 128.0 13.9 13.6 5.8
29 6 1 0 27.977 55.955 1.64196 127.1 13.8 13.5 5.8
30 3 2 2 28.055 56.109 1.63781 25.0 2.7 2.7 5.8
31 3 3 1 28.33 56.661 1.62316 177.9 19.4 18.9 5.8
32 6 0 1 28.639 57.278 1.60714 9.2 1.0 1.0 5.8
33 5 2 1 28.887 57.773 1.59452 47.0 5.1 5.0 5.8
34 4 3 0 29.246 58.491 1.57665 88.2 9.6 9.3 5.8
35 1 0 3 29.375 58.75 1.57031 33.8 3.7 3.6 5.8
36 0 1 3 30.094 60.189 1.53618 12.9 1.4 1.4 5.8
37 1 1 3 30.466 60.933 1.51919 32.9 3.6 3.5 5.8
38 2 0 3 30.499 60.998 1.51771 23.3 2.5 2.5 5.8
39 1 3 2 30.545 61.089 1.51567 32.9 3.6 3.5 5.8
40 4 2 2 30.708 61.417 1.50837 48.2 5.2 5.1 5.8
41 5 1 2 30.807 61.613 1.50404 49.2 5.4 5.2 5.8
42 0 4 0 30.883 61.765 1.5007 270.3 29.4 28.5 5.8
43 6 2 0 31.272 62.545 1.48385 377.4 41.1 39.8 5.8
44 2 1 3 31.567 63.134 1.47141 12.4 1.3 1.3 5.9
45 2 3 2 31.644 63.288 1.46821 13.8 1.5 1.5 5.9
46 3 0 3 32.321 64.642 1.44069 44.8 4.9 4.7 5.9
47 3 1 3 33.356 66.713 1.40091 74.0 8.0 7.7 5.9
48 7 0 1 33.413 66.826 1.3988 111.3 12.1 11.6 5.9
49 1 2 3 33.615 67.23 1.39138 81.6 8.9 8.5 5.9
50 2 2 3 34.661 69.323 1.3544 179.6 19.5 18.7 5.9
51 6 1 2 34.726 69.452 1.3522 11.4 1.2 1.2 5.9
52 4 0 3 34.784 69.568 1.35022 62.6 6.8 6.5 5.9
53 3 4 1 35.697 71.393 1.32012 98.5 10.7 10.2 5.9
54 4 1 3 35.785 71.569 1.31731 44.2 4.8 4.6 5.9
55 4 3 2 35.857 71.713 1.31501 17.7 1.9 1.8 5.9
56 6 3 0 36.379 72.759 1.29867 46.9 5.1 4.9 6.0
57 0 4 2 37.339 74.679 1.26997 21.8 2.4 2.2 6.0
58 6 2 2 37.696 75.392 1.25971 32.7 3.6 3.4 6.0
59 6 3 1 37.933 75.867 1.25301 11.2 1.2 1.1 6.0
60 4 4 1 38.06 76.12 1.24947 22.2 2.4 2.3 6.0
61 0 3 3 38.243 76.486 1.2444 22.6 2.5 2.3 6.0
62 4 2 3 38.723 77.446 1.23136 12.2 1.3 1.3 6.0
63 5 3 2 38.881 77.762 1.22713 29.8 3.2 3.1 6.0
64 0 0 4 40.263 80.527 1.19183 51.0 5.5 5.2 6.1
65 3 4 2 40.326 80.652 1.19029 10.4 1.1 1.1 6.1
66 8 2 0 40.851 81.702 1.17763 9.3 1.0 0.9 6.1
67 5 4 1 41.032 82.063 1.17336 26.6 2.9 2.7 6.1
68 3 3 3 41.211 82.421 1.16916 60.3 6.6 6.1 6.1
69 0 5 1 41.425 82.849 1.16421 13.0 1.4 1.3 6.1
70 5 2 3 41.682 83.364 1.15832 52.0 5.7 5.3 6.1
71 7 2 2 41.982 83.964 1.15156 26.9 2.9 2.7 6.1
72 8 2 1 42.357 84.715 1.14327 20.9 2.3 2.1 6.1
73 6 1 3 42.42 84.84 1.14189 30.6 3.3 3.1 6.1
74 4 4 2 42.612 85.225 1.13773 59.2 6.4 6.0 6.1
75 8 0 2 43.073 86.147 1.1279 32.3 3.5 3.2 6.1
76 4 3 3 43.489 86.979 1.11923 41.7 4.5 4.2 6.1
77 8 1 2 44.018 88.036 1.1085 9.9 1.1 1.0 6.2
78 3 5 1 44.35 88.7 1.10191 50.8 5.5 5.1 6.2
79 1 2 4 44.383 88.765 1.10127 28.2 3.1 2.8 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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