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
28, t-olivine, syn, f-olivine, s-forsterite
[Mg(1.78)Fe(0.22)]SiO(4)
Orthorhombic P nma Z = 4
R =0.039 NR =979
27 .1 .1992
Ref.Str.:
Nover G., Will G. (1981)
* Z. Kristallogr., 155, 27-45
Reserv:
In original - olivine[13].
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.2448 alpha = 90.0
b = 6.003 beta = 90.0
c = 4.7679 gamma = 90.0
Unit cell volume (cub. angs.) = 293.22
Molar volume ( cub.cm/mol.) = 44.15
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 = 0.9 , Fe = 0.1
2 0.2778 0.25 0.9898 0.0 Mg = 0.88, Fe = 0.12
3 0.0944 0.25 0.4268 0.0 Si = 1.00
4 0.092 0.25 0.7661 0.0 O = 1.00
5 0.4476 0.25 0.2203 0.0 O = 1.00
6 0.1634 0.0333 0.2786 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 0.2778 0.25 0.9898
3 3 0.0944 0.25 0.4268
4 4 0.092 0.25 0.7661
5 5 0.4476 0.25 0.2203
6 6 0.1634 0.0333 0.2786
7 1 0.5 0.0 0.5
8 2 0.2222 0.75 0.4898
9 3 0.4056 0.75 0.9268
10 4 0.408 0.75 0.2661
11 5 0.0524 0.75 0.7203
12 6 0.3366 0.9667 0.7786
13 1 0.5 0.5 0.5
14 6 0.3366 0.5333 0.7786
15 1 0.0 0.5 0.0
16 6 0.1634 0.4667 0.2786
17 2 0.7778 0.25 0.5102
18 3 0.5944 0.25 0.0732
19 4 0.592 0.25 0.7339
20 5 0.9476 0.25 0.2797
21 6 0.6634 0.0333 0.2214
22 2 0.7222 0.75 0.0102
23 3 0.9056 0.75 0.5732
24 4 0.908 0.75 0.2339
25 5 0.5524 0.75 0.7797
26 6 0.8366 0.9667 0.7214
27 6 0.8366 0.5333 0.7214
28 6 0.6634 0.4667 0.2214
X-ray density (g/cm cub.) = 3.34
MU (1/cm) = 177.242 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
2.0939 4
2.1463 6
2.0782 5
2.0782 5
2.0939 4
2.1463 6
2 Mg ,Fe 2.592 6
2.1819 4
2.0576 5
2.2275 6
2.0662 6
2.0662 6
2.2275 6
3 Si 2.1 4
1.6179 4
1.6405 6
1.6405 6
1.6594 5
4 O 3.264 12
2.8633 6
2.7622 6
3.0367 5
3.0367 5
3.0291 6
3.0291 6
2.8633 6
2.7622 6
2.861 5
2.7508 5
3.1279 6
3.1279 6
5 O 3.264 10
3.2011 6
3.0367 4
3.0367 4
2.9361 6
2.9361 6
3.2011 6
2.861 4
2.7508 4
2.5652 6
2.5652 6
6 O 3.264 10
2.7622 4
2.8633 4
3.2011 5
3.0291 4
2.9361 5
2.9986 6
2.9986 6
2.6017 6
2.5652 5
3.1279 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 8.649 17.297 0.098 85.51 2 28.4 160.0
2 1 0 1 10.265 20.529 0.116 60.07 4 5.6 8.8
3 2 1 0 11.401 22.803 0.128 48.29 4 45.8 471.3
4 0 1 1 11.906 23.813 0.134 44.11 4 28.2 162.9
5 1 1 1 12.685 25.37 0.143 38.61 8 22.6 184.3
6 2 0 1 12.751 25.501 0.143 38.19 4 25.5 115.9
7 2 1 1 14.791 29.583 0.166 27.87 8 14.3 53.3
8 0 2 0 14.87 29.741 0.167 27.55 2 47.8 146.3
9 3 0 1 16.108 32.216 0.18 23.2 4 75.0 607.4
10 2 2 0 17.304 34.608 0.193 19.86 4 15.9 23.5
11 4 0 0 17.503 35.005 0.195 19.37 2 6.2 1.7
12 3 1 1 17.799 35.599 0.198 18.67 8 64.2 716.9
13 1 2 1 18.206 36.412 0.203 17.77 8 73.9 903.7
14 0 0 2 18.851 37.702 0.21 16.46 2 18.7 13.3
15 4 1 0 19.086 38.171 0.212 16.01 4 40.0 119.2
16 1 0 2 19.375 38.749 0.215 15.49 4 35.0 88.3
17 2 2 1 19.785 39.569 0.22 14.79 8 49.7 340.0
18 4 0 1 19.962 39.924 0.222 14.5 4 60.0 242.6
19 1 1 2 20.836 41.672 0.231 13.18 8 36.1 160.0
20 2 0 2 20.879 41.757 0.231 13.12 4 4.9 1.5
21 4 1 1 21.39 42.78 0.237 12.42 8 0.1 0.0
22 3 2 1 22.206 44.412 0.245 11.42 8 20.0 42.4
23 2 1 2 22.258 44.517 0.246 11.36 8 5.3 3.0
24 3 0 2 23.207 46.414 0.256 10.34 4 22.9 25.1
25 4 2 0 23.288 46.577 0.257 10.26 4 22.1 23.3
26 5 0 1 24.153 48.307 0.266 9.44 4 35.0 53.8
27 0 2 2 24.37 48.74 0.268 9.25 4 18.3 14.4
28 2 3 0 24.411 48.822 0.268 9.22 4 7.0 2.1
29 3 1 2 24.483 48.966 0.269 9.16 8 3.1 0.8
30 0 3 1 24.675 49.35 0.271 8.99 4 7.8 2.6
31 1 2 2 24.798 49.596 0.272 8.89 8 10.1 8.5
32 1 3 1 25.099 50.199 0.275 8.65 8 22.9 42.2
33 4 2 1 25.283 50.567 0.277 8.51 8 5.7 2.5
34 5 1 1 25.393 50.786 0.278 8.43 8 22.3 38.9
35 2 2 2 26.051 52.102 0.285 7.95 8 92.9 638.5
36 4 0 2 26.194 52.389 0.287 7.85 4 71.9 188.7
37 2 3 1 26.342 52.684 0.288 7.75 8 23.6 40.0
38 6 0 0 26.816 53.632 0.293 7.44 2 3.8 0.2
39 4 1 2 27.367 54.734 0.298 7.1 8 44.6 131.6
40 6 1 0 27.971 55.941 0.304 6.76 4 64.3 130.1
41 3 2 2 28.051 56.102 0.305 6.72 8 20.1 25.3
42 3 3 1 28.328 56.655 0.308 6.57 8 54.4 181.1
43 6 0 1 28.632 57.264 0.311 6.41 4 17.4 9.0
44 5 2 1 28.881 57.763 0.314 6.29 8 28.3 46.9
45 4 3 0 29.242 58.484 0.317 6.11 4 56.1 89.5
46 1 0 3 29.371 58.742 0.318 6.05 4 33.9 32.4
47 5 0 2 29.717 59.433 0.322 5.9 4 7.5 1.5
48 6 1 1 29.74 59.48 0.322 5.89 8 2.5 0.3
49 0 1 3 30.09 60.181 0.325 5.73 4 22.2 13.1
50 1 1 3 30.462 60.925 0.329 5.58 8 25.8 34.5
51 2 0 3 30.495 60.989 0.329 5.57 4 29.9 23.2
52 1 3 2 30.542 61.084 0.33 5.55 8 25.3 33.1
53 4 2 2 30.704 61.407 0.331 5.48 8 29.5 44.5
54 5 1 2 30.8 61.601 0.332 5.44 8 31.1 49.0
55 0 4 0 30.881 61.763 0.333 5.41 2 146.5 270.1
56 4 3 1 30.966 61.931 0.334 5.38 8 11.5 6.6
57 6 2 0 31.266 62.532 0.337 5.27 4 123.7 374.9
58 2 1 3 31.563 63.125 0.34 5.16 8 15.9 12.1
59 2 3 2 31.641 63.282 0.341 5.13 8 16.7 13.3
60 3 0 3 32.316 64.631 0.347 4.9 4 37.9 32.8
61 2 4 0 32.333 64.666 0.347 4.89 4 21.4 10.5
62 1 4 1 32.91 65.819 0.353 4.71 8 1.4 0.1
63 6 2 1 32.927 65.855 0.353 4.71 8 9.1 3.6
64 3 1 3 33.351 66.702 0.357 4.58 8 42.3 76.1
65 7 0 1 33.405 66.809 0.357 4.56 4 72.2 110.8
66 3 3 2 33.427 66.854 0.358 4.56 8 4.8 1.0
67 1 2 3 33.611 67.221 0.359 4.51 8 43.7 79.9
68 6 0 2 33.704 67.408 0.36 4.48 4 10.2 2.2
69 5 2 2 33.932 67.863 0.362 4.42 8 10.6 4.6
70 2 4 1 33.966 67.933 0.363 4.41 8 8.9 3.2
71 5 3 1 34.18 68.36 0.365 4.35 8 14.9 9.0
72 7 1 1 34.423 68.847 0.367 4.29 8 13.3 7.1
73 2 2 3 34.657 69.314 0.369 4.23 8 67.5 179.0
74 6 1 2 34.718 69.437 0.37 4.21 8 17.4 11.8
75 4 0 3 34.778 69.556 0.37 4.2 4 56.6 62.6
76 3 4 1 35.694 71.388 0.379 3.99 8 51.3 97.4
77 4 1 3 35.778 71.557 0.38 3.97 8 34.5 43.8
78 4 3 2 35.852 71.704 0.38 3.95 8 22.4 18.5
79 3 2 3 36.37 72.739 0.385 3.84 8 3.1 0.4
80 6 3 0 36.373 72.746 0.385 3.84 4 51.8 47.9
81 4 4 0 36.505 73.009 0.386 3.82 4 14.2 3.6
82 8 0 0 36.977 73.955 0.39 3.72 2 13.6 1.6
83 0 4 2 37.337 74.673 0.394 3.66 4 35.8 21.8
84 7 2 1 37.403 74.807 0.394 3.65 8 16.4 9.1
85 1 4 2 37.672 75.344 0.397 3.6 8 21.8 16.0
86 6 2 2 37.689 75.377 0.397 3.6 8 22.0 16.3
87 5 0 3 37.834 75.668 0.398 3.57 4 20.3 6.9
88 6 3 1 37.927 75.853 0.399 3.56 8 18.5 11.3
89 8 1 0 37.954 75.909 0.399 3.55 4 15.1 3.8
90 4 4 1 38.056 76.112 0.4 3.53 8 25.8 21.9
91 7 0 2 38.14 76.279 0.401 3.52 4 19.8 6.4
92 0 3 3 38.239 76.477 0.402 3.51 4 37.4 22.8
93 8 0 1 38.522 77.044 0.404 3.46 4 13.5 2.9
94 1 3 3 38.571 77.143 0.405 3.45 8 13.9 6.2
95 2 4 2 38.672 77.344 0.406 3.44 8 1.5 0.1
96 4 2 3 38.717 77.433 0.406 3.43 8 19.6 12.3
97 5 1 3 38.804 77.607 0.407 3.42 8 7.2 1.6
98 5 3 2 38.875 77.75 0.407 3.41 8 30.6 29.7
99 7 1 2 39.107 78.214 0.409 3.37 8 12.4 4.8
100 8 1 1 39.487 78.973 0.413 3.32 8 10.7 3.5
101 2 3 3 39.564 79.129 0.413 3.31 8 6.9 1.5
102 0 0 4 40.257 80.515 0.419 3.22 2 82.4 50.9
103 3 4 2 40.322 80.644 0.42 3.22 8 18.7 10.5
104 1 0 4 40.585 81.171 0.422 3.18 4 9.5 1.3
105 8 2 0 40.841 81.681 0.424 3.16 4 24.7 8.9
106 5 4 1 41.026 82.053 0.426 3.14 8 29.2 24.9
107 3 3 3 41.205 82.411 0.428 3.12 8 37.1 39.9
108 2 5 0 41.221 82.442 0.428 3.11 4 38.3 21.2
109 0 5 1 41.423 82.845 0.429 3.09 4 30.1 13.1
110 6 0 3 41.462 82.925 0.43 3.09 4 0.7 0.0
111 1 1 4 41.538 83.076 0.43 3.08 8 9.2 2.4
112 2 0 4 41.566 83.133 0.431 3.08 4 1.9 0.1
113 5 2 3 41.675 83.349 0.432 3.07 8 42.6 51.8
114 1 5 1 41.749 83.498 0.432 3.06 8 10.3 3.0
115 7 2 2 41.973 83.946 0.434 3.04 8 30.8 26.9
116 7 3 1 42.205 84.409 0.436 3.02 8 15.1 6.4
117 8 2 1 42.347 84.694 0.437 3.01 8 27.2 20.8
118 6 1 3 42.411 84.823 0.438 3.0 8 33.2 30.8
119 6 3 2 42.481 84.963 0.438 3.0 8 18.3 9.3
120 2 1 4 42.515 85.03 0.439 2.99 8 8.4 1.9
121 4 4 2 42.607 85.215 0.439 2.99 8 46.1 59.1
122 2 5 1 42.725 85.45 0.44 2.98 8 1.8 0.1
123 8 0 2 43.062 86.124 0.443 2.95 4 47.7 31.2
124 6 4 0 43.105 86.21 0.444 2.95 4 13.3 2.4
125 3 0 4 43.193 86.386 0.444 2.94 4 21.9 6.5
126 4 3 3 43.483 86.966 0.447 2.92 8 39.1 41.5
127 8 1 2 44.007 88.013 0.451 2.88 8 19.7 10.4
128 0 2 4 44.052 88.105 0.451 2.88 4 4.8 0.3
129 9 0 1 44.083 88.167 0.452 2.88 4 8.9 1.1
130 3 1 4 44.137 88.275 0.452 2.88 8 2.7 0.2
131 3 5 1 44.347 88.694 0.454 2.86 8 44.0 51.6
132 1 2 4 44.376 88.753 0.454 2.86 8 32.4 27.9
133 6 4 1 44.602 89.204 0.456 2.85 8 11.5 3.5
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 8.649 17.297 5.1224 160.0 17.7 18.0 5.6
2 2 1 0 11.401 22.803 3.89659 471.3 52.1 52.7 5.6
3 0 1 1 11.906 23.813 3.73355 162.9 18.0 18.2 5.6
4 1 1 1 12.685 25.37 3.50787 184.3 20.4 20.6 5.6
5 2 0 1 12.751 25.501 3.49002 115.9 12.8 12.9 5.6
6 2 1 1 14.791 29.583 3.01717 53.3 5.9 5.9 5.6
7 0 2 0 14.87 29.741 3.0015 146.3 16.2 16.3 5.6
8 3 0 1 16.108 32.216 2.77628 607.4 67.2 67.5 5.6
9 2 2 0 17.304 34.608 2.58967 23.5 2.6 2.6 5.7
10 3 1 1 17.799 35.599 2.51985 716.9 79.3 79.4 5.7
11 1 2 1 18.206 36.412 2.46544 903.7 100.0 100.0 5.7
12 0 0 2 18.851 37.702 2.38395 13.3 1.5 1.5 5.7
13 4 1 0 19.086 38.171 2.35575 119.2 13.2 13.2 5.7
14 1 0 2 19.375 38.749 2.32191 88.3 9.8 9.8 5.7
15 2 2 1 19.785 39.569 2.27566 340.0 37.6 37.5 5.7
16 4 0 1 19.962 39.924 2.25627 242.6 26.8 26.8 5.7
17 1 1 2 20.836 41.672 2.16557 160.0 17.7 17.6 5.7
18 3 2 1 22.206 44.412 2.0381 42.4 4.7 4.7 5.7
19 3 0 2 23.207 46.414 1.95476 25.1 2.8 2.8 5.7
20 4 2 0 23.288 46.577 1.9483 23.3 2.6 2.6 5.7
21 5 0 1 24.153 48.307 1.88249 53.8 6.0 5.9 5.7
22 0 2 2 24.37 48.74 1.86677 14.4 1.6 1.6 5.7
23 1 3 1 25.099 50.199 1.81588 42.2 4.7 4.6 5.7
24 5 1 1 25.393 50.786 1.79624 38.9 4.3 4.2 5.8
25 2 2 2 26.051 52.102 1.75393 638.5 70.7 69.5 5.8
26 4 0 2 26.194 52.389 1.74501 188.7 20.9 20.5 5.8
27 2 3 1 26.342 52.684 1.73592 40.0 4.4 4.4 5.8
28 4 1 2 27.367 54.734 1.67565 131.6 14.6 14.3 5.8
29 6 1 0 27.971 55.941 1.64232 130.1 14.4 14.1 5.8
30 3 2 2 28.051 56.102 1.63801 25.3 2.8 2.7 5.8
31 3 3 1 28.328 56.655 1.6233 181.1 20.0 19.6 5.8
32 5 2 1 28.881 57.763 1.59478 46.9 5.2 5.1 5.8
33 4 3 0 29.242 58.484 1.57682 89.5 9.9 9.6 5.8
34 1 0 3 29.371 58.742 1.57051 32.4 3.6 3.5 5.8
35 0 1 3 30.09 60.181 1.53637 13.1 1.5 1.4 5.8
36 1 1 3 30.462 60.925 1.51938 34.5 3.8 3.7 5.8
37 2 0 3 30.495 60.989 1.51792 23.2 2.6 2.5 5.8
38 1 3 2 30.542 61.084 1.51579 33.1 3.7 3.6 5.8
39 4 2 2 30.704 61.407 1.50858 44.5 4.9 4.8 5.8
40 5 1 2 30.8 61.601 1.50431 49.0 5.4 5.3 5.8
41 0 4 0 30.881 61.763 1.50075 270.1 29.9 29.0 5.8
42 6 2 0 31.266 62.532 1.48413 374.9 41.5 40.2 5.8
43 2 1 3 31.563 63.125 1.4716 12.1 1.3 1.3 5.9
44 2 3 2 31.641 63.282 1.46834 13.3 1.5 1.4 5.9
45 3 0 3 32.316 64.631 1.4409 43.3 4.8 4.6 5.9
46 3 1 3 33.351 66.702 1.4011 76.1 8.4 8.1 5.9
47 7 0 1 33.405 66.809 1.39911 111.7 12.4 11.9 5.9
48 1 2 3 33.611 67.221 1.39153 79.9 8.8 8.5 5.9
49 2 2 3 34.657 69.314 1.35455 179.0 19.8 19.0 5.9
50 6 1 2 34.718 69.437 1.35245 11.8 1.3 1.3 5.9
51 4 0 3 34.778 69.556 1.35043 62.6 6.9 6.6 5.9
52 3 4 1 35.694 71.388 1.32021 97.4 10.8 10.3 5.9
53 4 1 3 35.778 71.557 1.3175 43.8 4.9 4.6 5.9
54 4 3 2 35.852 71.704 1.31516 18.5 2.0 2.0 5.9
55 6 3 0 36.373 72.746 1.29886 47.9 5.3 5.0 6.0
56 0 4 2 37.337 74.673 1.27005 21.8 2.4 2.3 6.0
57 7 2 1 37.403 74.807 1.26811 9.1 1.0 1.0 6.0
58 6 2 2 37.689 75.377 1.25992 32.2 3.6 3.4 6.0
59 6 3 1 37.927 75.853 1.2532 15.1 1.7 1.6 6.0
60 4 4 1 38.056 76.112 1.24958 21.9 2.4 2.3 6.0
61 0 3 3 38.239 76.477 1.24452 22.8 2.5 2.4 6.0
62 4 2 3 38.717 77.433 1.23152 12.3 1.4 1.3 6.0
63 5 3 2 38.875 77.75 1.22729 29.7 3.3 3.1 6.0
64 0 0 4 40.257 80.515 1.19197 50.9 5.6 5.3 6.1
65 3 4 2 40.322 80.644 1.19039 10.5 1.2 1.1 6.1
66 5 4 1 41.026 82.053 1.17348 24.9 2.8 2.6 6.1
67 3 3 3 41.205 82.411 1.16929 61.2 6.8 6.3 6.1
68 0 5 1 41.423 82.845 1.16426 13.1 1.4 1.3 6.1
69 5 2 3 41.675 83.349 1.15849 51.8 5.7 5.3 6.1
70 7 2 2 41.973 83.946 1.15177 26.9 3.0 2.8 6.1
71 8 2 1 42.347 84.694 1.1435 20.8 2.3 2.1 6.1
72 6 1 3 42.411 84.823 1.14209 30.8 3.4 3.2 6.1
73 6 3 2 42.481 84.963 1.14056 9.3 1.0 1.0 6.1
74 4 4 2 42.607 85.215 1.13783 59.1 6.5 6.1 6.1
75 8 0 2 43.062 86.124 1.12814 31.2 3.5 3.2 6.1
76 4 3 3 43.483 86.966 1.11937 41.5 4.6 4.2 6.1
77 8 1 2 44.007 88.013 1.10873 10.4 1.1 1.1 6.2
78 3 5 1 44.347 88.694 1.10197 79.5 8.8 8.1 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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