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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TELLURITE
1, t-tellurite, f-tellurite
TeO(2)
Orthorhombic P bca Z = 8
Pbca
23 .3 .1988
Ref.Str.:
Beyer H. (1967)
* Z. Kristallogr., 124, 228-237
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.035 alpha = 90.0
b = 5.464 beta = 90.0
c = 5.607 gamma = 90.0
Unit cell volume (cub. angs.) = 368.71
Molar volume ( cub.cm/mol.) = 27.76
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1182 0.0255 0.3781 1.06 Te = 1.00
2 0.027 0.637 0.178 0.7 O = 1.00
3 0.174 0.222 0.086 0.7 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1182 0.0255 0.3781
2 2 0.027 0.637 0.178
3 3 0.174 0.222 0.086
4 1 0.3818 0.9745 0.8781
5 2 0.473 0.363 0.678
6 3 0.326 0.778 0.586
7 1 0.3818 0.5255 0.3781
8 2 0.473 0.137 0.178
9 3 0.326 0.722 0.086
10 1 0.1182 0.4745 0.8781
11 2 0.027 0.863 0.678
12 3 0.174 0.278 0.586
13 1 0.6182 0.0255 0.1219
14 2 0.527 0.637 0.322
15 3 0.674 0.222 0.414
16 1 0.8818 0.9745 0.6219
17 2 0.973 0.363 0.822
18 3 0.826 0.778 0.914
19 1 0.8818 0.5255 0.1219
20 2 0.973 0.137 0.322
21 3 0.826 0.722 0.414
22 1 0.6182 0.4745 0.6219
23 2 0.527 0.863 0.822
24 3 0.674 0.278 0.914
X-ray density (g/cm cub.) = 5.75
MU (1/cm) = 1309.27 Mass attenuation coefficient (cm**2/g) = 227.767
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Te 2.7 5
2.64 2
2.0703 3
2.1956 2
1.927 3
1.8772 2
2 O 3.264 8
2.922 3
3.0634 2
3.0634 2
2.5784 2
2.9388 3
2.922 2
2.922 2
2.7961 3
3 O 3.264 5
2.922 2
2.8201 3
2.8201 3
2.9388 2
2.7961 2
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 7.354 14.709 0.083 119.1 2 55.0 529.6
2 2 1 0 10.977 21.954 0.124 52.26 4 88.2 1196.6
3 1 1 1 11.946 23.891 0.134 43.8 8 198.7 10178.8
4 2 1 1 13.58 27.16 0.152 33.43 8 229.8 10386.0
5 4 0 0 14.834 29.667 0.166 27.7 2 310.7 3932.6
6 0 0 2 15.948 31.895 0.178 23.71 2 5.9 1.2
7 3 1 1 15.961 31.922 0.178 23.66 8 124.6 2160.3
8 0 2 0 16.376 32.753 0.183 22.39 2 259.6 2218.8
9 1 0 2 16.386 32.773 0.183 22.36 4 178.2 2089.0
10 4 1 0 16.993 33.987 0.19 20.66 4 55.3 185.9
11 2 0 2 17.645 35.289 0.197 19.03 4 37.0 76.9
12 2 2 0 18.038 36.076 0.201 18.13 4 43.2 99.6
13 0 2 1 18.278 36.557 0.204 17.61 4 115.2 687.3
14 1 1 2 18.383 36.767 0.205 17.39 8 45.0 207.6
15 1 2 1 18.669 37.338 0.208 16.81 8 33.5 110.7
16 4 1 1 18.841 37.681 0.21 16.48 8 16.8 27.4
17 2 1 2 19.529 39.059 0.217 15.22 8 24.2 52.4
18 3 0 2 19.585 39.169 0.218 15.12 4 231.2 2379.3
19 2 2 1 19.801 39.602 0.22 14.76 8 36.1 113.1
20 3 1 2 21.324 42.648 0.236 12.51 8 25.2 46.7
21 3 2 1 21.576 43.153 0.239 12.18 8 46.2 153.2
22 4 0 2 22.058 44.116 0.244 11.59 4 35.4 42.8
23 5 1 1 22.068 44.136 0.244 11.58 8 170.7 1986.7
24 4 2 0 22.386 44.771 0.247 11.21 4 262.9 2279.8
25 6 0 0 22.583 45.166 0.249 10.99 2 17.5 4.9
26 0 2 2 23.184 46.368 0.256 10.36 4 2.2 0.2
27 1 2 2 23.506 47.013 0.259 10.04 8 208.3 2563.8
28 4 1 2 23.649 47.298 0.26 9.9 8 4.8 1.4
29 4 2 1 23.882 47.764 0.263 9.69 8 37.8 81.3
30 6 1 0 24.147 48.294 0.266 9.45 4 56.3 88.0
31 2 2 2 24.454 48.909 0.269 9.18 8 12.8 8.9
32 5 0 2 24.947 49.895 0.274 8.77 4 146.4 553.0
33 6 1 1 25.565 51.129 0.28 8.3 8 195.0 1856.4
34 3 2 2 25.977 51.954 0.284 8.0 8 199.6 1876.0
35 1 1 3 26.12 52.24 0.286 7.9 8 149.7 1042.4
36 2 3 0 26.223 52.446 0.287 7.83 4 94.2 204.6
37 5 1 2 26.405 52.811 0.289 7.71 8 42.1 80.6
38 5 2 1 26.621 53.241 0.291 7.57 8 36.0 57.8
39 1 3 1 26.696 53.392 0.292 7.52 8 119.1 627.9
40 2 1 3 27.0 54.001 0.295 7.33 8 199.1 1709.0
41 2 3 1 27.564 55.127 0.3 6.99 8 160.4 1058.2
42 4 2 2 28.009 56.017 0.305 6.74 8 2.7 0.3
43 6 0 2 28.176 56.353 0.307 6.65 4 1.4 0.0
44 3 1 3 28.426 56.852 0.309 6.52 8 85.3 279.0
45 6 2 0 28.451 56.902 0.309 6.51 4 90.9 158.2
46 3 3 1 28.97 57.941 0.314 6.24 8 120.7 535.5
47 7 1 1 29.298 58.597 0.318 6.09 8 85.6 262.5
48 6 1 2 29.524 59.047 0.32 5.98 8 13.7 6.6
49 4 3 0 29.628 59.257 0.321 5.94 4 33.5 19.6
50 6 2 1 29.724 59.448 0.322 5.89 8 4.6 0.7
51 0 2 3 29.957 59.914 0.324 5.79 4 62.1 65.6
52 1 2 3 30.227 60.455 0.327 5.68 8 29.8 29.6
53 4 1 3 30.348 60.695 0.328 5.63 8 28.6 27.1
54 5 2 2 30.487 60.974 0.329 5.57 8 140.0 642.3
55 1 3 2 30.556 61.112 0.33 5.54 8 104.4 355.6
56 8 0 0 30.799 61.598 0.332 5.45 2 213.4 364.8
57 4 3 1 30.871 61.742 0.333 5.42 8 45.3 65.5
58 2 2 3 31.031 62.061 0.335 5.36 8 6.0 1.1
59 2 3 2 31.354 62.708 0.338 5.23 8 1.7 0.1
60 7 0 2 31.706 63.412 0.341 5.11 4 253.6 966.6
61 8 1 0 32.078 64.157 0.345 4.98 4 15.9 3.7
62 3 2 3 32.343 64.687 0.347 4.89 8 26.8 20.6
63 3 3 2 32.66 65.32 0.35 4.79 8 76.2 163.8
64 5 1 3 32.718 65.435 0.351 4.77 8 118.2 392.6
65 7 1 2 32.966 65.932 0.353 4.69 8 18.6 9.6
66 7 2 1 33.154 66.308 0.355 4.64 8 64.1 112.3
67 5 3 1 33.22 66.44 0.356 4.62 8 123.1 411.9
68 8 1 1 33.268 66.536 0.356 4.6 8 66.2 118.7
69 0 0 4 33.334 66.667 0.357 4.59 2 250.4 422.8
70 6 2 2 33.364 66.729 0.357 4.58 8 11.7 3.7
71 1 0 4 33.589 67.177 0.359 4.51 4 2.4 0.1
72 4 2 3 34.136 68.271 0.364 4.36 8 59.6 91.1
73 0 4 0 34.326 68.651 0.366 4.31 2 176.7 198.1
74 2 0 4 34.349 68.697 0.366 4.31 4 16.8 3.6
75 4 3 2 34.444 68.887 0.367 4.28 8 15.1 5.8
76 1 1 4 34.813 69.627 0.371 4.19 8 24.6 14.9
77 6 3 0 34.838 69.676 0.371 4.18 4 116.8 167.9
78 2 4 0 35.327 70.654 0.375 4.07 4 16.7 3.3
79 0 4 1 35.478 70.956 0.377 4.03 4 77.4 71.2
80 6 1 3 35.499 70.998 0.377 4.03 8 153.8 560.8
81 8 0 2 35.527 71.054 0.377 4.02 4 3.7 0.2
82 2 1 4 35.561 71.122 0.378 4.01 8 44.1 46.0
83 3 0 4 35.598 71.196 0.378 4.01 4 27.5 8.9
84 1 4 1 35.726 71.451 0.379 3.98 8 76.2 136.0
85 8 2 0 35.769 71.538 0.379 3.97 4 213.0 529.7
86 6 3 1 35.983 71.966 0.381 3.92 8 116.7 314.3
87 5 2 3 36.377 72.754 0.385 3.84 8 41.0 38.0
88 1 3 3 36.44 72.88 0.386 3.83 8 75.7 129.0
89 2 4 1 36.465 72.931 0.386 3.82 8 6.3 0.9
90 7 2 2 36.614 73.227 0.387 3.79 8 160.2 572.8
91 5 3 2 36.677 73.353 0.388 3.78 8 65.7 96.0
92 8 1 2 36.723 73.445 0.388 3.77 8 16.6 6.1
93 3 1 4 36.793 73.585 0.389 3.76 8 2.1 0.1
94 8 2 1 36.902 73.804 0.39 3.74 8 45.4 45.2
95 2 3 3 37.174 74.348 0.392 3.69 8 130.5 369.7
96 4 0 4 37.317 74.634 0.394 3.66 4 209.4 472.4
97 9 1 1 37.498 74.996 0.395 3.63 8 142.4 433.4
98 3 4 1 37.685 75.371 0.397 3.6 8 71.9 109.4
99 0 2 4 38.143 76.286 0.401 3.52 4 186.2 359.1
100 4 4 0 38.264 76.529 0.402 3.5 4 186.9 359.7
101 1 2 4 38.384 76.768 0.403 3.48 8 24.9 12.7
102 3 3 3 38.386 76.772 0.403 3.48 8 91.3 170.9
103 4 1 4 38.492 76.983 0.404 3.47 8 8.0 1.3
104 7 1 3 38.672 77.344 0.406 3.44 8 68.7 95.5
105 0 4 2 38.849 77.698 0.407 3.41 4 26.7 7.2
106 6 2 3 39.045 78.091 0.409 3.38 8 7.6 1.1
107 1 4 2 39.089 78.178 0.409 3.38 8 101.5 204.6
108 2 2 4 39.105 78.211 0.409 3.37 8 22.3 9.9
109 7 3 1 39.141 78.283 0.41 3.37 8 60.3 72.1
110 6 3 2 39.338 78.676 0.411 3.34 8 0.0 0.0
111 4 4 1 39.371 78.743 0.412 3.34 8 85.6 143.9
112 5 0 4 39.487 78.974 0.413 3.32 4 19.4 3.7
113 9 0 2 39.658 79.316 0.414 3.3 4 70.4 48.1
114 10 0 0 39.794 79.589 0.415 3.28 2 80.2 31.0
115 2 4 2 39.807 79.613 0.416 3.28 8 7.8 1.2
116 4 3 3 40.063 80.126 0.418 3.25 8 30.2 17.4
117 8 2 2 40.231 80.463 0.419 3.23 8 14.5 4.0
118 3 2 4 40.299 80.599 0.42 3.22 8 8.1 1.2
119 5 1 4 40.643 81.286 0.423 3.18 8 23.3 10.2
120 9 1 2 40.813 81.625 0.424 3.16 8 45.8 39.0
121 10 1 0 40.948 81.896 0.425 3.14 4 6.1 0.3
122 9 2 1 40.986 81.973 0.426 3.14 8 11.3 2.3
123 3 4 2 40.996 81.991 0.426 3.14 8 134.9 336.1
124 5 4 1 41.511 83.023 0.43 3.09 8 51.8 48.8
125 8 3 0 41.614 83.227 0.431 3.07 4 51.3 23.8
126 4 2 4 41.958 83.915 0.434 3.04 8 178.5 570.6
127 10 1 1 42.038 84.075 0.435 3.03 8 107.9 207.8
128 6 0 4 42.098 84.196 0.435 3.03 4 36.2 11.7
129 7 2 3 42.135 84.269 0.435 3.03 8 53.7 51.3
130 5 3 3 42.195 84.391 0.436 3.02 8 106.3 200.8
131 8 1 3 42.24 84.48 0.436 3.02 8 43.1 33.0
132 7 3 2 42.423 84.845 0.438 3.0 8 47.6 40.0
133 4 4 2 42.649 85.298 0.44 2.98 8 0.6 0.0
134 8 3 1 42.7 85.401 0.44 2.98 8 28.3 14.1
135 6 4 0 43.019 86.038 0.443 2.95 4 34.3 10.2
136 6 1 4 43.24 86.481 0.445 2.94 8 29.3 14.8
137 5 2 4 44.076 88.151 0.452 2.88 8 20.0 6.8
138 6 4 1 44.102 88.203 0.452 2.88 8 28.2 13.4
139 1 3 4 44.136 88.272 0.452 2.88 8 1.6 0.0
140 10 0 2 44.148 88.296 0.452 2.88 4 3.9 0.1
141 9 2 2 44.243 88.487 0.453 2.87 8 64.9 71.2
142 0 4 3 44.303 88.606 0.453 2.87 4 72.4 44.2
143 10 2 0 44.378 88.755 0.454 2.86 4 74.5 46.7
144 1 4 3 44.538 89.075 0.455 2.85 8 51.2 44.0
145 1 1 5 44.759 89.518 0.457 2.84 8 93.3 145.5
146 5 4 2 44.764 89.528 0.457 2.84 8 60.8 61.7
147 6 3 3 44.782 89.563 0.457 2.84 8 123.4 254.6
148 2 3 4 44.84 89.681 0.458 2.84 8 76.7 98.2
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 7.354 14.709 6.0175 529.6 5.1 5.1 5.6
2 2 1 0 10.977 21.954 4.04519 1196.6 11.5 11.6 5.6
3 1 1 1 11.946 23.891 3.72143 10178.8 98.0 98.2 5.6
4 2 1 1 13.58 27.16 3.28055 10386.0 100.0 100.0 5.6
5 4 0 0 14.834 29.667 3.00875 3932.6 37.9 37.8 5.6
6 3 1 1 15.961 31.922 2.80122 2161.5 20.8 20.7 5.6
7 0 2 0 16.376 32.753 2.732 4307.8 41.5 41.3 5.6
8 4 1 0 16.993 33.987 2.63559 185.9 1.8 1.8 5.7
9 0 2 1 18.278 36.557 2.45597 687.3 6.6 6.6 5.7
10 1 1 2 18.383 36.767 2.44243 207.6 2.0 2.0 5.7
11 1 2 1 18.669 37.338 2.40638 110.7 1.1 1.1 5.7
12 3 0 2 19.585 39.169 2.29797 2379.3 22.9 22.7 5.7
13 2 2 1 19.801 39.602 2.27388 113.1 1.1 1.1 5.7
14 3 2 1 21.576 43.153 2.09462 153.2 1.5 1.5 5.7
15 5 1 1 22.068 44.136 2.05021 2029.5 19.5 19.2 5.7
16 4 2 0 22.386 44.771 2.0226 2279.8 22.0 21.6 5.7
17 1 2 2 23.506 47.013 1.93125 2563.8 24.7 24.2 5.7
18 5 0 2 24.947 49.895 1.82624 553.0 5.3 5.2 5.7
19 6 1 1 25.565 51.129 1.785 1856.4 17.9 17.5 5.8
20 3 2 2 25.977 51.954 1.75859 1876.0 18.1 17.6 5.8
21 1 1 3 26.12 52.24 1.74962 1042.4 10.0 9.8 5.8
22 2 3 0 26.223 52.446 1.74323 204.6 2.0 1.9 5.8
23 1 3 1 26.696 53.392 1.71457 627.9 6.0 5.9 5.8
24 2 1 3 27.0 54.001 1.69666 1709.0 16.5 16.0 5.8
25 2 3 1 27.564 55.127 1.66464 1058.2 10.2 9.9 5.8
26 3 1 3 28.426 56.852 1.61816 437.2 4.2 4.1 5.8
27 3 3 1 28.97 57.941 1.59031 535.5 5.2 5.0 5.8
28 7 1 1 29.298 58.597 1.57406 262.5 2.5 2.4 5.8
29 5 2 2 30.487 60.974 1.51827 642.3 6.2 6.0 5.8
30 1 3 2 30.556 61.112 1.51517 355.6 3.4 3.3 5.8
31 8 0 0 30.799 61.598 1.50437 364.8 3.5 3.4 5.8
32 7 0 2 31.706 63.412 1.46563 966.6 9.3 8.9 5.9
33 3 3 2 32.66 65.32 1.42737 163.8 1.6 1.5 5.9
34 5 1 3 32.718 65.435 1.42513 392.6 3.8 3.6 5.9
35 7 2 1 33.154 66.308 1.40847 112.3 1.1 1.0 5.9
36 5 3 1 33.22 66.44 1.40599 411.9 4.0 3.8 5.9
37 8 1 1 33.268 66.536 1.40419 118.7 1.1 1.1 5.9
38 0 0 4 33.334 66.667 1.40175 422.8 4.1 3.9 5.9
39 0 4 0 34.326 68.651 1.366 201.7 1.9 1.8 5.9
40 6 3 0 34.838 69.676 1.3484 182.9 1.8 1.7 5.9
41 6 1 3 35.499 70.998 1.32649 632.0 6.1 5.8 5.9
42 1 4 1 35.726 71.451 1.31918 136.0 1.3 1.2 5.9
43 8 2 0 35.769 71.538 1.3178 529.7 5.1 4.8 5.9
44 6 3 1 35.983 71.966 1.31102 314.3 3.0 2.9 5.9
45 1 3 3 36.44 72.88 1.29681 129.9 1.3 1.2 6.0
46 7 2 2 36.614 73.227 1.29152 572.8 5.5 5.2 6.0
47 2 3 3 37.174 74.348 1.2748 369.7 3.6 3.4 6.0
48 4 0 4 37.317 74.634 1.27062 472.4 4.5 4.3 6.0
49 9 1 1 37.498 74.996 1.26538 433.4 4.2 3.9 6.0
50 3 4 1 37.685 75.371 1.26002 109.4 1.1 1.0 6.0
51 0 2 4 38.143 76.286 1.24717 359.1 3.5 3.2 6.0
52 4 4 0 38.264 76.529 1.24381 359.7 3.5 3.2 6.0
53 3 3 3 38.386 76.772 1.24048 183.6 1.8 1.7 6.0
54 1 4 2 39.089 78.178 1.22164 214.4 2.1 1.9 6.0
55 4 4 1 39.371 78.743 1.21429 143.9 1.4 1.3 6.0
56 3 4 2 40.996 81.991 1.17421 338.5 3.3 3.0 6.1
57 4 2 4 41.958 83.915 1.15211 570.6 5.5 5.1 6.1
58 10 1 1 42.038 84.075 1.15033 207.8 2.0 1.8 6.1
59 5 3 3 42.195 84.391 1.14683 200.8 1.9 1.8 6.1
60 6 3 3 44.782 89.563 1.09352 461.8 4.4 4.0 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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