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
1, t-olivine, f-olivine, s-forsterite
Mn(2)SiO(4)
Orthorhombic P bnm Z = 4
Pbnm
27 .5 .1988
Ref.Str.:
Fujino K., Sasaki S. (1981)
* Acta Cryst., B 37, 513-518
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.902 alpha = 90.0
b = 10.596 beta = 90.0
c = 6.257 gamma = 90.0
Unit cell volume (cub. angs.) = 325.0
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 0.9879 0.2804 0.25 0.0 Mn = 1.00
3 0.4275 0.0964 0.25 0.0 Si = 1.00
4 0.7578 0.0936 0.25 0.0 O = 1.00
5 0.2109 0.4537 0.25 0.0 O = 1.00
6 0.2871 0.1638 0.0414 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 0.9879 0.2804 0.25
3 3 0.4275 0.0964 0.25
4 4 0.7578 0.0936 0.25
5 5 0.2109 0.4537 0.25
6 6 0.2871 0.1638 0.0414
7 2 0.0121 0.7196 0.75
8 3 0.5725 0.9036 0.75
9 4 0.2422 0.9064 0.75
10 5 0.7891 0.5463 0.75
11 6 0.7129 0.8362 0.9586
12 1 0.0 0.0 0.5
13 6 0.7129 0.8362 0.5414
14 6 0.2871 0.1638 0.4586
15 1 0.5 0.5 0.0
16 2 0.5121 0.7804 0.25
17 3 0.0725 0.5964 0.25
18 4 0.7422 0.5936 0.25
19 5 0.2891 0.9537 0.25
20 6 0.2129 0.6638 0.0414
21 2 0.4879 0.2196 0.75
22 3 0.9275 0.4036 0.75
23 4 0.2578 0.4064 0.75
24 5 0.7109 0.0463 0.75
25 6 0.7871 0.3362 0.9586
26 1 0.5 0.5 0.5
27 6 0.7871 0.3362 0.5414
28 6 0.2129 0.6638 0.4586
X-ray density (g/cm cub.) = 4.13
MU (1/cm) = 689.595 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
2.2003 4
2.2497 6
2.2003 4
2.2497 6
2.1671 5
2.1671 5
2 Mn 2.724 6
2.2781 4
2.1368 5
2.3194 6
2.3194 6
2.1547 6
2.1547 6
3 Si 2.1 4
1.619 4
1.6395 6
1.6395 6
1.6577 5
4 O 3.264 10
2.9982 6
2.7534 6
2.9982 6
2.7534 6
2.9972 5
2.7343 5
3.1767 5
3.1767 5
3.1542 6
3.1542 6
5 O 3.264 8
2.9972 4
2.7343 4
2.5811 6
3.1767 4
3.1767 4
3.0318 6
3.0318 6
2.5811 6
6 O 3.264 8
2.7534 4
2.9982 4
2.6104 6
2.5811 5
3.1542 4
3.0318 5
3.1 6
3.1 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 8.36 16.72 0.094 91.67 2 32.4 182.0
2 1 1 0 9.97 19.94 0.112 63.8 4 22.4 121.1
3 0 2 1 10.983 21.965 0.124 52.21 4 35.2 245.6
4 1 0 1 11.515 23.029 0.13 47.3 4 26.9 129.5
5 1 1 1 12.265 24.531 0.138 41.44 8 57.7 1045.8
6 1 2 0 12.362 24.723 0.139 40.77 4 28.0 121.2
7 0 0 2 14.254 28.507 0.16 30.16 2 49.9 142.1
8 1 2 1 14.297 28.594 0.16 29.97 8 17.1 66.6
9 1 3 0 15.593 31.186 0.174 24.89 4 135.9 1740.5
10 0 2 2 16.615 33.23 0.186 21.69 4 84.1 581.1
11 0 4 0 16.905 33.809 0.189 20.89 2 66.1 172.7
12 1 3 1 17.196 34.393 0.192 20.13 8 92.8 1314.1
13 1 1 2 17.517 35.035 0.195 19.33 8 118.1 2043.9
14 2 0 0 18.317 36.634 0.204 17.53 2 88.3 259.0
15 0 4 1 18.407 36.814 0.205 17.34 4 62.5 256.7
16 2 1 0 18.818 37.637 0.209 16.52 4 43.6 118.7
17 1 2 2 19.042 38.085 0.212 16.09 8 46.5 263.2
18 1 4 0 19.301 38.601 0.215 15.62 4 62.3 229.7
19 2 1 1 20.198 40.396 0.224 14.12 8 36.4 141.9
20 2 2 0 20.26 40.519 0.225 14.03 4 8.2 3.5
21 1 4 1 20.653 41.306 0.229 13.44 8 0.4 0.0
22 1 3 2 21.378 42.756 0.237 12.44 8 35.1 116.1
23 2 2 1 21.562 43.124 0.239 12.2 8 21.0 40.9
24 0 4 2 22.397 44.794 0.247 11.2 4 33.5 47.6
25 2 3 0 22.49 44.981 0.248 11.1 4 15.1 9.6
26 1 5 0 23.328 46.655 0.257 10.22 4 39.5 60.3
27 0 2 3 23.385 46.77 0.258 10.16 4 7.5 2.2
28 2 0 2 23.53 47.061 0.259 10.02 4 15.2 8.7
29 1 0 3 23.663 47.326 0.261 9.89 4 15.5 9.0
30 2 3 1 23.694 47.388 0.261 9.86 8 0.5 0.0
31 2 1 2 23.941 47.882 0.263 9.63 8 11.9 10.3
32 1 1 3 24.072 48.145 0.265 9.51 8 53.0 202.3
33 1 4 2 24.34 48.68 0.268 9.28 8 3.2 0.7
34 1 5 1 24.499 48.999 0.269 9.14 8 40.5 113.5
35 2 2 2 25.143 50.287 0.276 8.62 8 148.7 1443.4
36 1 2 3 25.27 50.54 0.277 8.52 8 29.0 54.2
37 2 4 0 25.351 50.702 0.278 8.46 4 117.6 442.9
38 0 6 0 25.86 51.72 0.283 8.08 2 22.2 7.5
39 2 4 1 26.456 52.911 0.289 7.67 8 65.1 246.1
40 0 6 1 26.95 53.9 0.294 7.36 4 96.7 260.4
41 2 3 2 27.06 54.119 0.295 7.29 8 13.1 9.5
42 1 3 3 27.18 54.359 0.297 7.22 8 77.2 326.1
43 1 6 0 27.621 55.241 0.301 6.96 4 15.8 6.6
44 1 5 2 27.794 55.588 0.303 6.86 8 78.9 323.6
45 0 4 3 28.038 56.076 0.305 6.72 4 79.8 162.1
46 3 1 0 28.488 56.977 0.31 6.49 4 62.5 95.8
47 1 6 1 28.665 57.329 0.311 6.4 8 8.9 3.9
48 2 5 0 28.718 57.436 0.312 6.37 4 12.0 3.5
49 3 0 1 29.158 58.316 0.316 6.15 4 16.9 6.6
50 2 1 3 29.364 58.728 0.318 6.06 8 23.1 24.4
51 0 0 4 29.5 59.001 0.32 6.0 2 197.9 444.7
52 3 1 1 29.512 59.025 0.32 5.99 8 52.7 126.0
53 3 2 0 29.559 59.118 0.32 5.97 4 34.8 27.3
54 2 4 2 29.598 59.195 0.321 5.95 8 40.1 72.6
55 1 4 3 29.711 59.422 0.322 5.9 8 14.5 9.4
56 2 5 1 29.737 59.474 0.322 5.89 8 32.3 46.5
57 0 6 2 30.057 60.115 0.325 5.75 4 154.5 519.8
58 2 2 3 30.415 60.831 0.329 5.6 8 7.7 2.5
59 3 2 1 30.56 61.121 0.33 5.54 8 22.5 21.3
60 0 2 4 30.893 61.787 0.333 5.41 4 26.7 14.6
61 3 3 0 31.293 62.585 0.337 5.26 4 76.5 116.6
62 1 1 4 31.465 62.93 0.339 5.19 8 17.6 12.2
63 1 6 2 31.664 63.328 0.341 5.12 8 8.6 2.9
64 2 3 3 32.122 64.243 0.345 4.96 8 11.6 5.0
65 1 7 0 32.18 64.359 0.346 4.95 4 120.6 272.2
66 3 3 1 32.263 64.525 0.346 4.92 8 61.2 139.7
67 3 1 2 32.465 64.929 0.348 4.85 8 72.1 191.0
68 1 2 4 32.476 64.952 0.349 4.85 8 6.4 1.5
69 2 6 0 32.52 65.041 0.349 4.83 4 5.8 0.6
70 2 5 2 32.678 65.355 0.35 4.78 8 11.3 4.6
71 1 5 3 32.785 65.569 0.351 4.75 8 28.1 28.3
72 1 7 1 33.135 66.271 0.355 4.64 8 13.8 6.7
73 3 2 2 33.46 66.919 0.358 4.55 8 68.0 159.3
74 2 6 1 33.471 66.942 0.358 4.55 8 40.5 56.5
75 3 4 0 33.633 67.267 0.36 4.5 4 48.2 39.6
76 1 3 4 34.126 68.252 0.364 4.37 8 90.9 273.5
77 2 4 3 34.433 68.865 0.367 4.29 8 36.7 43.7
78 3 4 1 34.569 69.137 0.368 4.25 8 42.0 56.7
79 0 6 3 34.857 69.714 0.371 4.18 4 79.4 99.7
80 0 4 4 34.881 69.762 0.371 4.17 4 56.7 50.8
81 3 3 2 35.086 70.173 0.373 4.12 8 2.7 0.2
82 0 8 0 35.561 71.121 0.378 4.02 2 40.2 12.3
83 2 0 4 35.744 71.488 0.379 3.97 4 86.9 113.7
84 1 7 2 35.926 71.851 0.381 3.94 8 15.1 6.8
85 2 1 4 36.063 72.126 0.382 3.91 8 25.4 19.2
86 2 6 2 36.249 72.498 0.384 3.87 8 56.0 91.9
87 1 6 3 36.351 72.703 0.385 3.85 8 17.9 9.3
88 1 4 4 36.375 72.75 0.385 3.84 8 24.7 17.8
89 0 8 1 36.473 72.947 0.386 3.82 4 5.6 0.5
90 3 5 0 36.532 73.063 0.386 3.81 4 26.4 10.1
91 2 7 0 36.733 73.467 0.388 3.77 4 20.4 6.0
92 3 0 3 36.788 73.575 0.389 3.76 4 34.8 17.3
93 2 2 4 37.012 74.025 0.391 3.72 8 2.0 0.1
94 1 8 0 37.043 74.086 0.391 3.71 4 9.3 1.2
95 3 1 3 37.103 74.206 0.392 3.7 8 32.3 29.2
96 2 5 3 37.303 74.607 0.393 3.66 8 33.8 31.6
97 3 4 2 37.311 74.621 0.393 3.66 8 14.9 6.2
98 3 5 1 37.435 74.87 0.395 3.64 8 15.5 6.6
99 2 7 1 37.635 75.27 0.396 3.61 8 4.9 0.7
100 1 8 1 37.942 75.885 0.399 3.55 8 8.8 2.1
101 3 2 3 38.043 76.085 0.4 3.54 8 11.7 3.7
102 2 3 4 38.576 77.152 0.405 3.45 8 13.5 4.8
103 4 0 0 38.943 77.885 0.408 3.4 2 122.1 95.9
104 0 8 2 39.163 78.327 0.41 3.37 4 43.8 24.5
105 1 5 4 39.19 78.38 0.41 3.36 8 33.4 28.4
106 0 2 5 39.233 78.466 0.411 3.36 4 33.9 14.6
107 4 1 0 39.252 78.504 0.411 3.35 4 15.9 3.2
108 1 0 5 39.44 78.881 0.412 3.33 4 31.0 12.1
109 3 3 3 39.593 79.185 0.414 3.31 8 54.2 73.6
110 1 1 5 39.749 79.497 0.415 3.29 8 29.5 21.6
111 3 6 0 39.959 79.918 0.417 3.26 4 2.5 0.1
112 3 5 2 40.104 80.208 0.418 3.24 8 84.1 173.8
113 4 1 1 40.136 80.271 0.418 3.24 8 6.8 1.1
114 4 2 0 40.176 80.352 0.419 3.23 4 6.3 0.5
115 2 7 2 40.3 80.6 0.42 3.22 8 35.2 30.2
116 1 7 3 40.399 80.797 0.421 3.21 8 17.2 7.2
117 1 8 2 40.601 81.202 0.422 3.18 8 30.9 23.1
118 1 2 5 40.67 81.34 0.423 3.17 8 2.7 0.2
119 2 6 3 40.71 81.421 0.423 3.17 8 38.9 36.4
120 2 4 4 40.733 81.466 0.424 3.17 8 78.8 148.9
121 3 6 1 40.839 81.677 0.424 3.16 8 34.0 27.6
122 4 2 1 41.055 82.11 0.426 3.13 8 13.8 4.5
123 0 6 4 41.134 82.268 0.427 3.12 4 1.6 0.0
124 2 8 0 41.38 82.759 0.429 3.1 4 66.3 51.6
125 4 3 0 41.706 83.411 0.432 3.07 4 19.1 4.2
126 3 4 3 41.737 83.474 0.432 3.06 8 46.7 50.6
127 1 3 5 42.196 84.392 0.436 3.02 8 61.8 87.2
128 2 8 1 42.253 84.507 0.436 3.02 8 42.4 41.0
129 1 9 0 42.288 84.577 0.437 3.01 4 8.9 0.9
130 4 0 2 42.458 84.916 0.438 3.0 4 3.6 0.2
131 1 6 4 42.558 85.115 0.439 2.99 8 10.2 2.4
132 4 3 1 42.578 85.157 0.439 2.99 8 0.1 0.0
133 4 1 2 42.762 85.523 0.441 2.97 8 43.8 43.2
134 0 4 5 42.903 85.806 0.442 2.96 4 30.9 10.7
135 1 9 1 43.16 86.319 0.444 2.94 8 12.5 3.5
136 3 1 4 43.28 86.56 0.445 2.93 8 42.2 39.5
137 3 6 2 43.458 86.915 0.446 2.92 8 1.3 0.0
138 2 5 4 43.473 86.947 0.447 2.92 8 2.8 0.2
139 0 8 3 43.545 87.09 0.447 2.91 4 14.7 2.4
140 4 2 2 43.672 87.344 0.448 2.91 8 74.5 122.3
141 4 4 0 43.832 87.664 0.45 2.9 4 70.1 53.9
142 3 7 0 43.921 87.842 0.45 2.89 4 97.4 103.9
143 2 1 5 44.022 88.044 0.451 2.88 8 27.3 16.2
144 3 2 4 44.189 88.378 0.452 2.87 8 36.1 28.4
145 1 4 5 44.32 88.639 0.454 2.87 8 11.3 2.8
146 3 5 3 44.469 88.939 0.455 2.86 8 26.1 14.8
147 2 7 3 44.663 89.325 0.456 2.85 8 10.1 2.2
148 4 4 1 44.701 89.401 0.457 2.84 8 24.6 13.0
149 3 7 1 44.79 89.579 0.457 2.84 8 7.4 1.2
150 2 8 2 44.863 89.725 0.458 2.84 8 40.5 35.2
151 2 2 5 44.931 89.861 0.458 2.83 8 21.2 9.7
152 1 8 3 44.96 89.92 0.459 2.83 8 0.1 0.0
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 8.36 16.72 5.298 182.0 8.9 9.0 5.6
2 1 1 0 9.97 19.94 4.44897 121.1 5.9 6.0 5.6
3 0 2 1 10.983 21.965 4.04327 245.6 12.0 12.1 5.6
4 1 0 1 11.515 23.029 3.85879 129.5 6.3 6.4 5.6
5 1 1 1 12.265 24.531 3.62584 1045.8 51.2 51.6 5.6
6 1 2 0 12.362 24.723 3.5981 121.2 5.9 6.0 5.6
7 0 0 2 14.254 28.507 3.1285 142.1 7.0 7.0 5.6
8 1 2 1 14.297 28.594 3.11914 66.6 3.3 3.3 5.6
9 1 3 0 15.593 31.186 2.86563 1740.5 85.2 85.4 5.6
10 0 2 2 16.615 33.23 2.69388 581.1 28.4 28.5 5.6
11 0 4 0 16.905 33.809 2.649 172.7 8.4 8.5 5.7
12 1 3 1 17.196 34.393 2.60538 1314.1 64.3 64.3 5.7
13 1 1 2 17.517 35.035 2.55912 2043.9 100.0 100.0 5.7
14 2 0 0 18.317 36.634 2.451 259.0 12.7 12.7 5.7
15 0 4 1 18.407 36.814 2.43939 256.7 12.6 12.5 5.7
16 2 1 0 18.818 37.637 2.38795 118.7 5.8 5.8 5.7
17 1 2 2 19.042 38.085 2.36087 263.2 12.9 12.8 5.7
18 1 4 0 19.301 38.601 2.33049 229.7 11.2 11.2 5.7
19 2 1 1 20.198 40.396 2.23099 141.9 6.9 6.9 5.7
20 1 3 2 21.378 42.756 2.11314 116.1 5.7 5.6 5.7
21 2 2 1 21.562 43.124 2.09597 40.9 2.0 2.0 5.7
22 0 4 2 22.397 44.794 2.02163 47.6 2.3 2.3 5.7
23 1 5 0 23.328 46.655 1.94521 60.3 2.9 2.9 5.7
24 1 1 3 24.072 48.145 1.88845 202.3 9.9 9.8 5.7
25 1 5 1 24.499 48.999 1.85751 113.5 5.6 5.5 5.7
26 2 2 2 25.143 50.287 1.81292 1443.4 70.6 69.5 5.8
27 1 2 3 25.27 50.54 1.80443 54.2 2.6 2.6 5.8
28 2 4 0 25.351 50.702 1.79905 442.9 21.7 21.3 5.8
29 2 4 1 26.456 52.911 1.729 246.1 12.0 11.8 5.8
30 0 6 1 26.95 53.9 1.6996 260.4 12.7 12.5 5.8
31 1 3 3 27.18 54.359 1.68631 326.1 16.0 15.6 5.8
32 1 5 2 27.794 55.588 1.65193 323.6 15.8 15.5 5.8
33 0 4 3 28.038 56.076 1.6387 162.1 7.9 7.7 5.8
34 3 1 0 28.488 56.977 1.61491 95.8 4.7 4.6 5.8
35 2 1 3 29.364 58.728 1.57086 24.4 1.2 1.2 5.8
36 0 0 4 29.5 59.001 1.56425 570.8 27.9 27.2 5.8
37 3 2 0 29.559 59.118 1.56142 27.3 1.3 1.3 5.8
38 2 4 2 29.598 59.195 1.55957 72.6 3.6 3.5 5.8
39 2 5 1 29.737 59.474 1.55292 55.9 2.7 2.7 5.8
40 0 6 2 30.057 60.115 1.53789 519.8 25.4 24.7 5.8
41 3 2 1 30.56 61.121 1.51496 21.3 1.0 1.0 5.8
42 3 3 0 31.293 62.585 1.48299 116.6 5.7 5.5 5.8
43 1 7 0 32.18 64.359 1.44633 272.2 13.3 12.8 5.9
44 3 3 1 32.263 64.525 1.44301 139.7 6.8 6.6 5.9
45 3 1 2 32.465 64.929 1.43501 192.5 9.4 9.1 5.9
46 1 5 3 32.785 65.569 1.42254 28.3 1.4 1.3 5.9
47 3 2 2 33.46 66.919 1.39708 215.7 10.6 10.1 5.9
48 3 4 0 33.633 67.267 1.39071 39.6 1.9 1.9 5.9
49 1 3 4 34.126 68.252 1.37301 273.5 13.4 12.8 5.9
50 2 4 3 34.433 68.865 1.36228 43.7 2.1 2.0 5.9
51 3 4 1 34.569 69.137 1.35758 56.7 2.8 2.7 5.9
52 0 6 3 34.857 69.714 1.34776 150.4 7.4 7.0 5.9
53 2 0 4 35.744 71.488 1.31859 113.7 5.6 5.3 5.9
54 2 6 2 36.249 72.498 1.30269 91.9 4.5 4.3 5.9
55 1 4 4 36.375 72.75 1.2988 27.2 1.3 1.3 6.0
56 3 1 3 37.103 74.206 1.27689 29.2 1.4 1.4 6.0
57 2 5 3 37.303 74.607 1.27101 37.8 1.9 1.8 6.0
58 4 0 0 38.943 77.885 1.2255 95.9 4.7 4.4 6.0
59 1 5 4 39.19 78.38 1.219 52.9 2.6 2.4 6.0
60 3 3 3 39.593 79.185 1.20861 73.6 3.6 3.4 6.0
61 1 1 5 39.749 79.497 1.20465 21.6 1.1 1.0 6.0
62 3 5 2 40.104 80.208 1.19576 173.8 8.5 8.0 6.0
63 2 7 2 40.3 80.6 1.19093 30.2 1.5 1.4 6.1
64 1 8 2 40.601 81.202 1.18361 23.1 1.1 1.1 6.1
65 2 4 4 40.733 81.466 1.18044 185.3 9.1 8.5 6.1
66 3 6 1 40.839 81.677 1.17792 27.6 1.3 1.3 6.1
67 2 8 0 41.38 82.759 1.16524 51.6 2.5 2.3 6.1
68 3 4 3 41.737 83.474 1.15707 50.6 2.5 2.3 6.1
69 1 3 5 42.196 84.392 1.14682 87.2 4.3 4.0 6.1
70 2 8 1 42.253 84.507 1.14555 41.0 2.0 1.9 6.1
71 4 1 2 42.762 85.523 1.13452 43.2 2.1 2.0 6.1
72 3 1 4 43.28 86.56 1.12358 39.5 1.9 1.8 6.1
73 4 2 2 43.672 87.344 1.1155 122.3 6.0 5.5 6.2
74 4 4 0 43.832 87.664 1.11224 53.9 2.6 2.4 6.2
75 3 7 0 43.921 87.842 1.11045 103.9 5.1 4.7 6.2
76 3 2 4 44.189 88.378 1.10509 28.4 1.4 1.3 6.2
77 2 8 2 44.863 89.725 1.09196 35.2 1.7 1.6 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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