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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TEPHROITE
3, t-olivine, at 300'K, f-olivine, s-forsterite
Mn(2)SiO(4)
Orthorhombic P nma Z = 4
Pnma
2 .12 .97
Ref.Str.:
Nover G., Will G. (1981)
* Z. Kristallogr., 155, 27-45
L: Ballet O., Fuess H., Friezche T. (1987)
* Phys. Chem. Minerals, 15, 54-58
R: In original - olivine. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.5966 alpha = 90.0
b = 6.2567 beta = 90.0
c = 4.9023 gamma = 90.0
Unit cell volume (cub. angs.) = 325.02
Molar volume ( cub.cm/mol.) = 48.94
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 Mn = 1.00
2 0.2778 0.25 0.99 0.0 Mn = 1.00
3 0.0945 0.25 0.427 0.0 Si = 1.00
4 0.0918 0.25 0.766 0.0 O = 1.00
5 0.4477 0.25 0.2203 0.0 O = 1.00
6 0.1634 0.0334 0.2788 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 0.99
3 3 0.0945 0.25 0.427
4 4 0.0918 0.25 0.766
5 5 0.4477 0.25 0.2203
6 6 0.1634 0.0334 0.2788
7 1 0.5 0.0 0.5
8 2 0.2222 0.75 0.49
9 3 0.4055 0.75 0.927
10 4 0.4082 0.75 0.266
11 5 0.0523 0.75 0.7203
12 6 0.3366 0.9666 0.7788
13 1 0.5 0.5 0.5
14 6 0.3366 0.5334 0.7788
15 1 0.0 0.5 0.0
16 6 0.1634 0.4666 0.2788
17 2 0.7778 0.25 0.51
18 3 0.5945 0.25 0.073
19 4 0.5918 0.25 0.734
20 5 0.9477 0.25 0.2797
21 6 0.6634 0.0334 0.2212
22 2 0.7222 0.75 0.01
23 3 0.9055 0.75 0.573
24 4 0.9082 0.75 0.234
25 5 0.5523 0.75 0.7797
26 6 0.8366 0.9666 0.7212
27 6 0.8366 0.5334 0.7212
28 6 0.6634 0.4666 0.2212
X-ray density (g/cm cub.) = 4.13
MU (1/cm) = 689.547 Mass attenuation coefficient (cm**2/g) = 167.127
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 6
2.17 4
2.2158 6
2.1526 5
2.1526 5
2.17 4
2.2158 6
2 Mn 2.724 6
2.2562 4
2.1251 5
2.3045 6
2.1458 6
2.1458 6
2.3045 6
3 Si 2.1 4
1.6621 4
1.7022 6
1.7022 6
1.715 5
4 O 3.264 12
2.955 6
2.849 6
3.1642 5
3.1642 5
3.1428 6
3.1428 6
2.955 6
2.849 6
2.9451 5
2.8311 5
3.2412 6
3.2412 6
5 O 3.264 8
3.1642 4
3.1642 4
3.0355 6
3.0355 6
2.9451 4
2.8311 4
2.6572 6
2.6572 6
6 O 3.264 9
2.849 4
2.955 4
3.1428 4
3.0355 5
3.0905 6
3.0905 6
2.7104 6
2.6572 5
3.2412 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 8.359 16.719 0.094 91.68 2 32.1 178.8
2 1 0 1 9.97 19.939 0.112 63.81 4 27.9 187.7
3 2 1 0 10.982 21.965 0.124 52.21 4 33.1 216.7
4 0 1 1 11.514 23.029 0.13 47.31 4 26.1 122.0
5 1 1 1 12.265 24.53 0.138 41.44 8 60.0 1129.0
6 2 0 1 12.361 24.722 0.139 40.77 4 26.6 109.2
7 0 2 0 14.254 28.509 0.16 30.16 2 47.6 129.2
8 2 1 1 14.297 28.594 0.16 29.97 8 16.5 61.9
9 3 0 1 15.592 31.184 0.174 24.89 4 130.0 1593.2
10 2 2 0 16.615 33.23 0.186 21.69 4 83.8 576.9
11 4 0 0 16.904 33.808 0.189 20.9 2 67.7 181.5
12 3 1 1 17.196 34.392 0.192 20.13 8 94.6 1363.5
13 1 2 1 17.518 35.035 0.195 19.33 8 115.7 1958.5
14 0 0 2 18.316 36.631 0.204 17.54 2 85.7 244.0
15 4 1 0 18.406 36.813 0.205 17.35 4 61.8 251.0
16 1 0 2 18.817 37.634 0.209 16.52 4 39.5 97.7
17 2 2 1 19.043 38.085 0.212 16.09 8 50.4 309.4
18 4 0 1 19.299 38.599 0.215 15.62 4 62.8 233.3
19 1 1 2 20.197 40.394 0.224 14.12 8 35.9 138.0
20 2 0 2 20.258 40.517 0.225 14.03 4 7.8 3.3
21 4 1 1 20.652 41.304 0.229 13.44 8 1.2 0.1
22 3 2 1 21.378 42.756 0.237 12.44 8 36.7 127.2
23 2 1 2 21.561 43.122 0.239 12.2 8 16.0 23.8
24 4 2 0 22.396 44.793 0.247 11.2 4 30.1 38.5
25 3 0 2 22.489 44.978 0.248 11.1 4 19.8 16.5
26 5 0 1 23.326 46.652 0.257 10.22 4 43.2 72.1
27 2 3 0 23.386 46.772 0.258 10.16 4 3.4 0.4
28 0 2 2 23.53 47.06 0.259 10.02 4 17.5 11.7
29 0 3 1 23.664 47.328 0.261 9.89 4 10.3 3.9
30 3 1 2 23.693 47.385 0.261 9.86 8 1.4 0.1
31 1 2 2 23.941 47.881 0.263 9.63 8 13.5 13.4
32 1 3 1 24.073 48.146 0.265 9.51 8 52.1 195.7
33 4 2 1 24.339 48.679 0.268 9.28 8 4.4 1.4
34 5 1 1 24.498 48.996 0.269 9.14 8 41.4 118.5
35 2 2 2 25.143 50.285 0.276 8.62 8 150.7 1482.4
36 2 3 1 25.27 50.541 0.277 8.52 8 25.8 43.1
37 4 0 2 25.349 50.698 0.278 8.46 4 123.8 490.5
38 6 0 0 25.858 51.717 0.283 8.08 2 11.3 1.9
39 4 1 2 26.454 52.909 0.289 7.68 8 63.0 230.7
40 6 1 0 26.949 53.897 0.294 7.36 4 89.4 222.8
41 3 2 2 27.059 54.118 0.295 7.29 8 17.4 16.7
42 3 3 1 27.18 54.36 0.297 7.22 8 78.8 339.5
43 6 0 1 27.619 55.238 0.301 6.96 4 16.6 7.2
44 5 2 1 27.793 55.586 0.303 6.86 8 76.9 307.4
45 4 3 0 28.038 56.076 0.305 6.72 4 74.5 141.5
46 1 0 3 28.486 56.973 0.31 6.49 4 57.2 80.3
47 6 1 1 28.663 57.326 0.311 6.4 8 3.8 0.7
48 5 0 2 28.716 57.433 0.312 6.37 4 5.9 0.8
49 0 1 3 29.156 58.312 0.316 6.16 4 17.6 7.2
50 1 3 2 29.364 58.728 0.318 6.06 8 25.2 29.1
51 0 4 0 29.502 59.004 0.32 5.99 2 203.0 467.5
52 1 1 3 29.511 59.021 0.32 5.99 8 51.1 118.6
53 2 0 3 29.557 59.114 0.32 5.97 4 31.9 23.0
54 4 2 2 29.596 59.193 0.321 5.95 8 37.2 62.3
55 4 3 1 29.711 59.422 0.322 5.9 8 11.0 5.4
56 5 1 2 29.735 59.471 0.322 5.89 8 33.9 51.3
57 6 2 0 30.056 60.113 0.325 5.75 4 165.7 597.7
58 2 3 2 30.415 60.83 0.329 5.6 8 8.6 3.1
59 2 1 3 30.559 61.117 0.33 5.54 8 20.4 17.4
60 2 4 0 30.895 61.79 0.333 5.41 4 24.2 12.0
61 3 0 3 31.291 62.581 0.337 5.26 4 76.1 115.3
62 1 4 1 31.466 62.933 0.339 5.19 8 19.8 15.4
63 6 2 1 31.663 63.326 0.341 5.12 8 8.2 2.6
64 3 3 2 32.121 64.243 0.345 4.97 8 6.6 1.6
65 7 0 1 32.178 64.355 0.346 4.95 4 121.4 275.9
66 3 1 3 32.261 64.521 0.346 4.92 8 64.0 152.4
67 1 2 3 32.463 64.926 0.348 4.85 8 73.7 199.4
68 2 4 1 32.477 64.955 0.349 4.85 8 9.4 3.2
69 6 0 2 32.518 65.036 0.349 4.83 4 2.4 0.1
70 5 2 2 32.676 65.352 0.35 4.78 8 12.7 5.9
71 5 3 1 32.784 65.569 0.351 4.75 8 30.8 34.2
72 7 1 1 33.133 66.267 0.355 4.64 8 5.4 1.0
73 2 2 3 33.458 66.916 0.358 4.55 8 70.6 171.6
74 6 1 2 33.469 66.938 0.358 4.55 8 38.0 49.8
75 4 0 3 33.631 67.262 0.36 4.5 4 55.2 52.0
76 3 4 1 34.127 68.254 0.364 4.36 8 88.4 258.5
77 4 3 2 34.432 68.864 0.367 4.29 8 37.6 45.8
78 4 1 3 34.566 69.133 0.368 4.25 8 38.4 47.5
79 6 3 0 34.856 69.713 0.371 4.18 4 73.3 85.0
80 4 4 0 34.882 69.764 0.371 4.17 4 56.0 49.5
81 3 2 3 35.085 70.17 0.373 4.12 8 8.8 2.4
82 8 0 0 35.558 71.116 0.377 4.02 2 41.0 12.8
83 0 4 2 35.745 71.49 0.379 3.97 4 82.0 101.2
84 7 2 1 35.924 71.848 0.381 3.94 8 14.7 6.4
85 1 4 2 36.064 72.127 0.382 3.91 8 25.1 18.6
86 6 2 2 36.248 72.495 0.384 3.87 8 56.3 92.7
87 6 3 1 36.351 72.701 0.385 3.85 8 18.2 9.7
88 4 4 1 36.376 72.751 0.385 3.84 8 28.1 22.9
89 8 1 0 36.471 72.942 0.386 3.82 4 6.6 0.6
90 5 0 3 36.529 73.058 0.386 3.81 4 27.1 10.6
91 7 0 2 36.731 73.462 0.388 3.77 4 21.0 6.3
92 0 3 3 36.787 73.574 0.389 3.76 4 34.2 16.6
93 2 4 2 37.013 74.026 0.391 3.72 8 3.4 0.3
94 8 0 1 37.041 74.082 0.391 3.71 4 12.9 2.4
95 1 3 3 37.102 74.204 0.392 3.7 8 35.5 35.3
96 5 3 2 37.303 74.605 0.393 3.66 8 33.3 30.8
97 4 2 3 37.309 74.618 0.393 3.66 8 17.4 8.4
98 5 1 3 37.433 74.865 0.395 3.64 8 21.1 12.3
99 7 1 2 37.633 75.265 0.396 3.61 8 10.0 2.7
100 8 1 1 37.94 75.88 0.399 3.55 8 11.1 3.3
101 2 3 3 38.042 76.083 0.4 3.54 8 10.6 3.0
102 3 4 2 38.576 77.152 0.405 3.45 8 16.7 7.3
103 0 0 4 38.94 77.88 0.408 3.4 2 127.5 104.5
104 8 2 0 39.162 78.323 0.41 3.37 4 43.6 24.2
105 5 4 1 39.19 78.381 0.41 3.36 8 35.5 32.0
106 2 5 0 39.235 78.47 0.411 3.36 4 32.3 13.3
107 1 0 4 39.249 78.498 0.411 3.35 4 14.6 2.7
108 0 5 1 39.442 78.885 0.412 3.33 4 30.0 11.3
109 3 3 3 39.592 79.183 0.414 3.31 8 56.3 79.4
110 1 5 1 39.751 79.501 0.415 3.29 8 31.5 24.7
111 6 0 3 39.956 79.912 0.417 3.26 4 4.3 0.2
112 5 2 3 40.102 80.204 0.418 3.24 8 81.1 161.5
113 1 1 4 40.133 80.266 0.418 3.24 8 8.3 1.7
114 2 0 4 40.173 80.346 0.419 3.23 4 4.5 0.3
115 7 2 2 40.298 80.596 0.42 3.22 8 32.5 25.8
116 7 3 1 40.398 80.795 0.421 3.21 8 8.3 1.7
117 8 2 1 40.599 81.198 0.422 3.18 8 29.3 20.7
118 2 5 1 40.672 81.343 0.423 3.17 8 2.8 0.2
119 6 3 2 40.709 81.418 0.423 3.17 8 36.7 32.3
120 4 4 2 40.733 81.467 0.424 3.17 8 84.8 172.6
121 6 1 3 40.836 81.672 0.424 3.16 8 32.1 24.6
122 2 1 4 41.052 82.104 0.426 3.13 8 15.2 5.5
123 6 4 0 41.134 82.268 0.427 3.12 4 2.6 0.1
124 8 0 2 41.377 82.754 0.429 3.1 4 74.0 64.3
125 3 0 4 41.702 83.405 0.432 3.07 4 18.0 3.7
126 4 3 3 41.736 83.472 0.432 3.06 8 43.1 43.0
127 3 5 1 42.197 84.395 0.436 3.02 8 62.9 90.5
128 8 1 2 42.251 84.501 0.436 3.02 8 40.3 37.2
129 9 0 1 42.286 84.571 0.437 3.01 4 8.5 0.8
130 0 2 4 42.455 84.911 0.438 3.0 4 5.7 0.4
131 6 4 1 42.557 85.115 0.439 2.99 8 10.9 2.7
132 3 1 4 42.575 85.151 0.439 2.99 8 0.3 0.0
133 1 2 4 42.759 85.518 0.441 2.97 8 38.1 32.7
134 4 5 0 42.905 85.809 0.442 2.96 4 31.3 11.0
135 9 1 1 43.157 86.313 0.444 2.94 8 19.6 8.5
136 1 4 3 43.28 86.559 0.445 2.93 8 40.3 36.2
137 6 2 3 43.455 86.91 0.446 2.92 8 0.7 0.0
138 5 4 2 43.473 86.946 0.447 2.92 8 0.5 0.0
139 8 3 0 43.543 87.087 0.447 2.91 4 10.8 1.3
140 2 2 4 43.669 87.338 0.448 2.91 8 73.1 117.7
141 4 0 4 43.829 87.657 0.45 2.9 4 71.1 55.3
142 7 0 3 43.918 87.835 0.45 2.89 4 95.7 100.2
143 1 5 2 44.023 88.047 0.451 2.88 8 26.3 15.0
144 2 4 3 44.189 88.377 0.452 2.87 8 32.3 22.7
145 4 5 1 44.321 88.642 0.454 2.86 8 11.6 2.9
146 5 3 3 44.468 88.935 0.455 2.86 8 27.1 15.9
147 7 3 2 44.661 89.322 0.456 2.85 8 12.9 3.6
148 4 1 4 44.697 89.395 0.457 2.84 8 20.1 8.7
149 7 1 3 44.786 89.573 0.457 2.84 8 10.5 2.4
150 8 2 2 44.86 89.72 0.458 2.84 8 33.4 24.0
151 2 5 2 44.932 89.864 0.458 2.83 8 18.2 7.1
152 8 3 1 44.959 89.917 0.459 2.83 8 3.7 0.3
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 8.359 16.719 5.2983 178.8 9.1 9.3 5.6
2 1 0 1 9.97 19.939 4.44924 187.7 9.6 9.7 5.6
3 2 1 0 10.982 21.965 4.04332 216.7 11.1 11.2 5.6
4 0 1 1 11.514 23.029 3.85886 122.0 6.2 6.3 5.6
5 1 1 1 12.265 24.53 3.62592 1129.0 57.6 58.1 5.6
6 2 0 1 12.361 24.722 3.59831 109.2 5.6 5.6 5.6
7 0 2 0 14.254 28.509 3.12835 129.2 6.6 6.6 5.6
8 2 1 1 14.297 28.594 3.11925 61.9 3.2 3.2 5.6
9 3 0 1 15.592 31.184 2.8658 1593.2 81.3 81.6 5.6
10 2 2 0 16.615 33.23 2.69383 576.9 29.5 29.5 5.6
11 4 0 0 16.904 33.808 2.64915 181.5 9.3 9.3 5.7
12 3 1 1 17.196 34.392 2.60549 1363.5 69.6 69.7 5.7
13 1 2 1 17.518 35.035 2.55909 1958.5 100.0 100.0 5.7
14 0 0 2 18.316 36.631 2.45115 244.0 12.5 12.4 5.7
15 4 1 0 18.406 36.813 2.43949 251.0 12.8 12.8 5.7
16 1 0 2 18.817 37.634 2.38809 97.7 5.0 5.0 5.7
17 2 2 1 19.043 38.085 2.36087 309.4 15.8 15.8 5.7
18 4 0 1 19.299 38.599 2.33062 233.3 11.9 11.9 5.7
19 1 1 2 20.197 40.394 2.2311 138.0 7.0 7.0 5.7
20 3 2 1 21.378 42.756 2.11316 127.2 6.5 6.4 5.7
21 2 1 2 21.561 43.122 2.09607 23.8 1.2 1.2 5.7
22 4 2 0 22.396 44.793 2.02166 38.5 2.0 1.9 5.7
23 5 0 1 23.326 46.652 1.94532 72.1 3.7 3.6 5.7
24 1 3 1 24.073 48.146 1.8884 195.7 10.0 9.9 5.7
25 5 1 1 24.498 48.996 1.8576 118.5 6.1 6.0 5.7
26 2 2 2 25.143 50.285 1.81296 1482.4 75.7 74.5 5.8
27 2 3 1 25.27 50.541 1.8044 43.1 2.2 2.2 5.8
28 4 0 2 25.349 50.698 1.79916 490.5 25.0 24.6 5.8
29 4 1 2 26.454 52.909 1.72909 230.7 11.8 11.6 5.8
30 6 1 0 26.949 53.897 1.69968 222.8 11.4 11.1 5.8
31 3 3 1 27.18 54.36 1.68629 339.5 17.3 17.0 5.8
32 5 2 1 27.793 55.586 1.65197 307.4 15.7 15.3 5.8
33 4 3 0 28.038 56.076 1.63869 141.5 7.2 7.1 5.8
34 1 0 3 28.486 56.973 1.61501 80.3 4.1 4.0 5.8
35 1 3 2 29.364 58.728 1.57086 29.1 1.5 1.4 5.8
36 0 4 0 29.502 59.004 1.56418 586.2 29.9 29.1 5.8
37 2 0 3 29.557 59.114 1.56152 23.0 1.2 1.1 5.8
38 4 2 2 29.596 59.193 1.55962 62.3 3.2 3.1 5.8
39 5 1 2 29.735 59.471 1.553 56.7 2.9 2.8 5.8
40 6 2 0 30.056 60.113 1.53794 597.7 30.5 29.6 5.8
41 3 0 3 31.291 62.581 1.48308 115.3 5.9 5.7 5.8
42 7 0 1 32.178 64.355 1.44641 275.9 14.1 13.6 5.9
43 3 1 3 32.261 64.521 1.44309 152.4 7.8 7.5 5.9
44 1 2 3 32.463 64.926 1.43506 202.6 10.3 10.0 5.9
45 5 3 1 32.784 65.569 1.42255 34.2 1.7 1.7 5.9
46 2 2 3 33.458 66.916 1.39714 221.4 11.3 10.9 5.9
47 4 0 3 33.631 67.262 1.39079 52.0 2.7 2.5 5.9
48 3 4 1 34.127 68.254 1.37298 258.5 13.2 12.7 5.9
49 4 3 2 34.432 68.864 1.36229 45.8 2.3 2.2 5.9
50 4 1 3 34.566 69.133 1.35765 47.5 2.4 2.3 5.9
51 6 3 0 34.856 69.713 1.34777 134.6 6.9 6.6 5.9
52 0 4 2 35.745 71.49 1.31857 101.2 5.2 4.9 5.9
53 6 2 2 36.248 72.495 1.30274 92.7 4.7 4.5 5.9
54 4 4 1 36.376 72.751 1.29878 32.6 1.7 1.6 6.0
55 1 3 3 37.102 74.204 1.27691 35.3 1.8 1.7 6.0
56 5 3 2 37.303 74.605 1.27104 39.2 2.0 1.9 6.0
57 0 0 4 38.94 77.88 1.22557 104.5 5.3 5.0 6.0
58 5 4 1 39.19 78.381 1.21899 56.2 2.9 2.7 6.0
59 3 3 3 39.592 79.183 1.20864 79.4 4.1 3.8 6.0
60 1 5 1 39.751 79.501 1.2046 24.7 1.3 1.2 6.0
61 5 2 3 40.102 80.204 1.19581 161.5 8.2 7.7 6.0
62 7 2 2 40.298 80.596 1.19098 25.8 1.3 1.2 6.1
63 8 2 1 40.599 81.198 1.18366 20.7 1.1 1.0 6.1
64 4 4 2 40.733 81.467 1.18044 204.9 10.5 9.8 6.1
65 6 1 3 40.836 81.672 1.17799 24.6 1.3 1.2 6.1
66 8 0 2 41.377 82.754 1.16531 64.3 3.3 3.1 6.1
67 4 3 3 41.736 83.472 1.1571 43.0 2.2 2.0 6.1
68 3 5 1 42.197 84.395 1.14678 90.5 4.6 4.3 6.1
69 8 1 2 42.251 84.501 1.14561 37.2 1.9 1.8 6.1
70 1 2 4 42.759 85.518 1.13457 32.7 1.7 1.5 6.1
71 1 4 3 43.28 86.559 1.12358 36.2 1.8 1.7 6.1
72 2 2 4 43.669 87.338 1.11555 117.7 6.0 5.5 6.2
73 4 0 4 43.829 87.657 1.11231 55.3 2.8 2.6 6.2
74 7 0 3 43.918 87.835 1.11051 100.2 5.1 4.7 6.2
75 2 4 3 44.189 88.377 1.1051 22.7 1.2 1.1 6.2
76 8 2 2 44.86 89.72 1.09201 24.0 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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