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
65, t-olivine, analogue
(Co,Ni,Zn)(2)SiO(4)
Orthorhombic P bnm Z = 4
R =0.025 NR =1487
5 .4 .1902
Ref.Str.:
K. Tsukimura, S. Sasaki (2000)
* Phys. Chem. Minerals, 27, 234-241
Reserv:
In original - olivine[70]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7564 alpha = 90.0
b = 10.2283 beta = 90.0
c = 5.9696 gamma = 90.0
Unit cell volume (cub. angs.) = 290.42
Molar volume ( cub.cm/mol.) = 43.73
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 Co = 0.33, Ni = 0.54, Zn = 0.13
2 0.9892 0.2766 0.25 0.0 Co = 0.42, Ni = 0.25, Zn = 0.33
3 0.4266 0.0943 0.25 0.0 Si = 1.00
4 0.767 0.0923 0.25 0.0 O = 1.00
5 0.2179 0.4473 0.25 0.0 O = 1.00
6 0.2787 0.1626 0.0325 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 0.9892 0.2766 0.25
3 3 0.4266 0.0943 0.25
4 4 0.767 0.0923 0.25
5 5 0.2179 0.4473 0.25
6 6 0.2787 0.1626 0.0325
7 2 0.0108 0.7234 0.75
8 3 0.5734 0.9057 0.75
9 4 0.233 0.9077 0.75
10 5 0.7821 0.5527 0.75
11 6 0.7213 0.8374 0.9675
12 1 0.0 0.0 0.5
13 6 0.7213 0.8374 0.5325
14 6 0.2787 0.1626 0.4675
15 1 0.5 0.5 0.0
16 2 0.5108 0.7766 0.25
17 3 0.0734 0.5943 0.25
18 4 0.733 0.5923 0.25
19 5 0.2821 0.9473 0.25
20 6 0.2213 0.6626 0.0325
21 2 0.4892 0.2234 0.75
22 3 0.9266 0.4057 0.75
23 4 0.267 0.4077 0.75
24 5 0.7179 0.0527 0.75
25 6 0.7787 0.3374 0.9675
26 1 0.5 0.5 0.5
27 6 0.7787 0.3374 0.5325
28 6 0.2213 0.6626 0.4675
X-ray density (g/cm cub.) = 4.86
MU (1/cm) = 222.967 Mass attenuation coefficient (cm**2/g) = 45.851
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co ,Ni ,Zn 2.628 6
2.0849 4
2.1356 6
2.0849 4
2.1356 6
2.078 5
2.078 5
2 Co ,Ni ,Zn 2.628 6
2.1613 4
2.0569 5
2.223 6
2.223 6
2.0574 6
2.0574 6
3 Si 2.1 4
1.6192 4
1.6334 6
1.6334 6
1.6536 5
4 O 3.264 12
2.8507 6
2.7563 6
3.1127 6
3.1127 6
2.8507 6
2.7563 6
2.8639 5
2.7421 5
3.0212 5
3.0212 5
3.0219 6
3.0219 6
5 O 3.264 10
3.2014 6
3.2014 6
2.8639 4
2.7421 4
2.5565 6
3.0212 4
3.0212 4
2.9106 6
2.9106 6
2.5565 6
6 O 3.264 10
2.7563 4
2.8507 4
3.2014 5
3.1127 4
2.5968 6
2.5565 5
3.0219 4
2.9106 5
3.0005 6
3.0005 6
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 10.073 20.146 0.098 62.47 2 30.9 141.3
2 1 1 0 11.97 23.939 0.116 43.62 4 40.9 346.0
3 0 2 1 13.315 26.63 0.129 34.86 4 27.2 122.4
4 1 0 1 13.913 27.826 0.134 31.76 4 23.5 83.2
5 1 1 1 14.824 29.649 0.143 27.74 8 76.0 1520.9
6 1 2 0 14.881 29.762 0.144 27.51 4 26.5 91.4
7 1 2 1 17.297 34.595 0.166 19.88 8 17.8 59.7
8 0 0 2 17.438 34.876 0.168 19.53 2 46.8 101.5
9 1 3 0 18.832 37.663 0.18 16.5 4 148.3 1720.4
10 0 2 2 20.303 40.605 0.194 13.96 4 113.5 852.6
11 0 4 0 20.475 40.95 0.196 13.7 2 95.0 293.0
12 1 3 1 20.847 41.693 0.199 13.16 8 106.4 1414.4
13 1 1 2 21.373 42.746 0.204 12.45 8 129.5 1978.3
14 2 0 0 22.093 44.186 0.21 11.55 2 114.9 361.6
15 0 4 1 22.367 44.734 0.213 11.24 4 68.5 250.1
16 2 1 0 22.715 45.429 0.216 10.85 4 41.0 86.6
17 1 2 2 23.245 46.49 0.221 10.3 8 48.6 230.9
18 1 4 0 23.4 46.799 0.222 10.15 4 60.9 178.6
19 2 1 1 24.468 48.937 0.232 9.17 8 35.0 106.2
20 2 2 0 24.506 49.012 0.232 9.14 4 7.0 2.1
21 1 4 1 25.117 50.234 0.237 8.64 8 2.4 0.5
22 1 3 2 26.132 52.265 0.246 7.89 8 44.2 146.3
23 2 2 1 26.169 52.338 0.247 7.87 8 20.1 30.1
24 2 3 0 27.295 54.589 0.256 7.15 4 16.4 9.2
25 0 4 2 27.426 54.853 0.257 7.07 4 29.4 29.0
26 1 5 0 28.423 56.845 0.266 6.52 4 45.9 65.2
27 2 0 2 28.744 57.488 0.269 6.36 4 18.1 9.9
28 0 2 3 28.838 57.676 0.27 6.31 4 7.4 1.6
29 2 3 1 28.844 57.688 0.27 6.31 8 0.2 0.0
30 1 0 3 29.161 58.321 0.272 6.15 4 10.6 3.3
31 2 1 2 29.261 58.521 0.273 6.11 8 15.8 14.4
32 1 1 3 29.673 59.345 0.277 5.92 8 65.9 243.9
33 1 4 2 29.836 59.672 0.278 5.84 8 3.4 0.7
34 1 5 1 29.934 59.868 0.279 5.8 8 52.3 150.7
35 2 2 2 30.778 61.556 0.286 5.45 8 173.9 1565.1
36 2 4 0 30.906 61.812 0.287 5.4 4 148.2 562.9
37 1 2 3 31.178 62.356 0.289 5.3 8 25.6 33.0
38 0 6 0 31.648 63.296 0.293 5.13 2 14.3 2.5
39 2 4 1 32.347 64.693 0.299 4.89 8 68.5 217.5
40 0 6 1 33.071 66.141 0.305 4.66 4 97.6 210.7
41 2 3 2 33.216 66.433 0.306 4.62 8 13.9 8.4
42 1 3 3 33.6 67.201 0.309 4.51 8 89.1 339.7
43 1 6 0 33.875 67.749 0.312 4.43 4 15.2 4.9
44 1 5 2 34.226 68.451 0.314 4.34 8 98.3 397.5
45 0 4 3 34.721 69.441 0.318 4.21 4 78.6 123.4
46 3 1 0 34.813 69.626 0.319 4.19 4 67.6 90.8
47 2 5 0 35.222 70.445 0.322 4.09 4 4.0 0.3
48 1 6 1 35.252 70.503 0.323 4.09 8 3.9 0.6
49 3 0 1 35.713 71.425 0.326 3.98 4 13.3 3.3
50 3 1 1 36.174 72.347 0.33 3.88 8 63.5 148.3
51 3 2 0 36.203 72.406 0.33 3.88 4 31.3 18.0
52 2 1 3 36.341 72.682 0.331 3.85 8 24.2 21.4
53 2 4 2 36.488 72.977 0.332 3.82 8 36.7 48.7
54 2 5 1 36.577 73.153 0.333 3.8 8 34.6 43.1
55 0 0 4 36.823 73.646 0.335 3.75 2 221.9 438.0
56 1 4 3 36.857 73.714 0.335 3.75 8 9.3 3.0
57 0 6 2 37.174 74.349 0.338 3.69 4 182.2 580.3
58 3 2 1 37.543 75.086 0.341 3.62 8 23.4 18.7
59 2 2 3 37.708 75.416 0.342 3.59 8 3.5 0.4
60 3 3 0 38.475 76.951 0.348 3.47 4 93.0 142.2
61 0 2 4 38.634 77.268 0.349 3.44 4 22.1 8.0
62 1 6 2 39.259 78.519 0.354 3.35 8 5.6 1.0
63 1 1 4 39.362 78.723 0.355 3.34 8 30.2 28.9
64 3 3 1 39.789 79.579 0.358 3.28 8 74.7 173.8
65 1 7 0 39.82 79.64 0.358 3.28 4 142.2 314.4
66 2 3 3 39.951 79.903 0.359 3.26 8 7.4 1.7
67 3 1 2 40.148 80.297 0.36 3.24 8 85.5 224.4
68 2 6 0 40.209 80.417 0.361 3.23 4 6.3 0.6
69 2 5 2 40.538 81.077 0.363 3.19 8 13.8 5.8
70 1 2 4 40.696 81.392 0.364 3.17 8 9.8 2.9
71 1 5 3 40.895 81.791 0.366 3.15 8 40.7 49.5
72 1 7 1 41.123 82.246 0.368 3.12 8 3.2 0.3
73 3 2 2 41.477 82.955 0.37 3.09 8 68.2 136.1
74 2 6 1 41.509 83.017 0.37 3.09 8 47.0 64.7
75 3 4 0 41.591 83.181 0.371 3.08 4 49.9 36.3
76 3 4 1 42.883 85.766 0.38 2.96 8 39.4 43.7
77 1 3 4 42.901 85.803 0.381 2.96 8 102.7 296.4
78 2 4 3 43.043 86.086 0.382 2.95 8 43.8 53.7
79 3 3 2 43.676 87.353 0.386 2.91 8 15.6 6.7
80 0 6 3 43.703 87.405 0.386 2.9 4 79.9 87.9
81 0 4 4 43.944 87.888 0.388 2.89 4 77.7 82.7
82 0 8 0 44.395 88.789 0.391 2.86 2 59.2 23.8
83 1 7 2 44.994 89.988 0.395 2.83 8 13.3 4.8
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 10.073 20.146 5.11415 141.3 7.1 7.3 5.6
2 1 1 0 11.97 23.939 4.31288 346.0 17.5 17.8 5.6
3 0 2 1 13.315 26.63 3.8838 122.4 6.2 6.3 5.6
4 1 0 1 13.913 27.826 3.71998 83.2 4.2 4.3 5.6
5 1 1 1 14.824 29.649 3.49595 1520.9 76.9 77.8 5.6
6 1 2 0 14.881 29.762 3.4829 91.4 4.6 4.7 5.6
7 1 2 1 17.297 34.595 3.00831 59.7 3.0 3.0 5.7
8 0 0 2 17.438 34.876 2.9848 101.5 5.1 5.2 5.7
9 1 3 0 18.832 37.663 2.77106 1720.4 87.0 87.4 5.7
10 0 2 2 20.303 40.605 2.57787 852.6 43.1 43.2 5.7
11 0 4 0 20.475 40.95 2.55708 293.0 14.8 14.8 5.7
12 1 3 1 20.847 41.693 2.51346 1414.4 71.5 71.6 5.7
13 1 1 2 21.373 42.746 2.45436 1978.3 100.0 100.0 5.7
14 2 0 0 22.093 44.186 2.3782 361.6 18.3 18.2 5.7
15 0 4 1 22.367 44.734 2.35051 250.1 12.6 12.6 5.7
16 2 1 0 22.715 45.429 2.31641 86.6 4.4 4.4 5.7
17 1 2 2 23.245 46.49 2.2664 230.9 11.7 11.6 5.7
18 1 4 0 23.4 46.799 2.25223 178.6 9.0 9.0 5.7
19 2 1 1 24.468 48.937 2.15953 106.2 5.4 5.3 5.7
20 1 3 2 26.132 52.265 2.0308 146.3 7.4 7.3 5.8
21 2 2 1 26.169 52.338 2.02817 30.1 1.5 1.5 5.8
22 0 4 2 27.426 54.853 1.9419 29.0 1.5 1.4 5.8
23 1 5 0 28.423 56.845 1.87923 65.2 3.3 3.2 5.8
24 1 1 3 29.673 59.345 1.80683 243.9 12.3 12.1 5.8
25 1 5 1 29.934 59.868 1.79251 150.7 7.6 7.5 5.8
26 2 2 2 30.778 61.556 1.74797 1565.1 79.1 77.2 5.8
27 2 4 0 30.906 61.812 1.74145 562.9 28.5 27.8 5.8
28 1 2 3 31.178 62.356 1.72776 33.0 1.7 1.6 5.8
29 2 4 1 32.347 64.693 1.67177 217.5 11.0 10.7 5.9
30 0 6 1 33.071 66.141 1.63919 210.7 10.7 10.3 5.9
31 1 3 3 33.6 67.201 1.61631 339.7 17.2 16.6 5.9
32 1 5 2 34.226 68.451 1.59029 397.5 20.1 19.4 5.9
33 0 4 3 34.721 69.441 1.5704 123.4 6.2 6.0 5.9
34 3 1 0 34.813 69.626 1.56676 90.8 4.6 4.4 5.9
35 3 1 1 36.174 72.347 1.51543 166.3 8.4 8.1 5.9
36 2 1 3 36.341 72.682 1.50941 21.4 1.1 1.0 6.0
37 2 4 2 36.488 72.977 1.50416 48.7 2.5 2.4 6.0
38 2 5 1 36.577 73.153 1.50103 43.1 2.2 2.1 6.0
39 0 0 4 36.823 73.646 1.4924 438.0 22.1 21.2 6.0
40 0 6 2 37.174 74.349 1.4803 580.3 29.3 28.0 6.0
41 3 3 0 38.475 76.951 1.43763 142.2 7.2 6.8 6.0
42 1 1 4 39.362 78.723 1.41035 28.9 1.5 1.4 6.0
43 3 3 1 39.789 79.579 1.39767 173.8 8.8 8.3 6.0
44 1 7 0 39.82 79.64 1.39676 314.4 15.9 15.0 6.0
45 3 1 2 40.148 80.297 1.38725 224.4 11.3 10.7 6.0
46 1 5 3 40.895 81.791 1.36625 49.5 2.5 2.3 6.1
47 3 2 2 41.477 82.955 1.35049 136.1 6.9 6.4 6.1
48 2 6 1 41.509 83.017 1.34965 64.7 3.3 3.1 6.1
49 3 4 0 41.591 83.181 1.34747 36.3 1.8 1.7 6.1
50 1 3 4 42.901 85.803 1.31396 340.1 17.2 16.0 6.1
51 2 4 3 43.043 86.086 1.31047 53.7 2.7 2.5 6.1
52 0 6 3 43.703 87.405 1.2946 94.7 4.8 4.4 6.2
53 0 4 4 43.944 87.888 1.28893 82.7 4.2 3.9 6.2
54 0 8 0 44.395 88.789 1.27854 23.8 1.2 1.1 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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