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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TELLUROPERITE
1, g-nadorite
Pb(3)Te++++O(4)Cl(2)
Orthorhombic B mmb Z = 2
R =0.056
26 .11 .10
Ref.Str.:
Kampf A.R., Mills S.J., Housley R.M., Marty J., Thorne B. (2010)
* Amer. Mineral., 95, 1569-1573
R: from Otto Mountain near Baker, California.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.5649 alpha = 90.0
b = 5.5565 beta = 90.0
c = 12.475 gamma = 90.0
Unit cell volume (cub. angs.) = 385.74
Molar volume ( cub.cm/mol.) = 116.17
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.25 0.3892 0.0 Pb = 1.00
2 0.0 0.25 0.0961 0.0 Pb = 0.5 , Te = 0.5
3 0.763 0.0 0.0 0.0 O = 1.00
4 0.0 0.25 0.7473 0.0 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.25 0.3892
2 2 0.0 0.25 0.0961
3 3 0.763 0.0 0.0
4 4 0.0 0.25 0.7473
5 1 0.0 0.75 0.6108
6 2 0.0 0.75 0.9039
7 3 0.237 0.0 0.0
8 4 0.0 0.75 0.2527
9 3 0.237 0.5 0.0
10 3 0.763 0.5 0.0
11 1 0.5 0.25 0.8892
12 2 0.5 0.25 0.5961
13 3 0.737 0.0 0.5
14 4 0.5 0.25 0.2473
15 1 0.5 0.75 0.1108
16 2 0.5 0.75 0.4039
17 3 0.263 0.0 0.5
18 4 0.5 0.75 0.7527
19 3 0.263 0.5 0.5
20 3 0.737 0.5 0.5
X-ray density (g/cm cub.) = 7.61
MU (1/cm) = 1621.91 Mass attenuation coefficient (cm**2/g) = 213.15
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.684 8
3.2586 4
3.2586 4
2.4459 3
3.2978 4
3.2978 4
2.4459 3
2.4459 3
2.4459 3
2 Pb ,Te 3.684 8
2.2597 3
2.2597 3
3.3963 4
3.3963 4
2.2597 3
2.2597 3
3.3615 4
3.3615 4
3 O 3.804 8
3.6888 4
2.6378 3
2.9271 3
3.6888 4
2.7782 3
2.7782 3
3.6864 4
3.6864 4
4 Cl 4.344 12
3.6888 3
3.6888 3
3.6888 3
3.6888 3
3.6864 3
3.6864 3
3.9326 4
3.9326 4
3.9326 4
3.9326 4
3.6864 3
3.6864 3
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 0 2 7.094 14.187 0.08 128.19 2 136.1 3190.7
2 1 0 1 8.718 17.435 0.098 84.13 4 21.3 102.4
3 0 1 2 10.699 21.399 0.121 55.12 4 58.5 506.5
4 1 1 1 11.853 23.706 0.133 44.52 8 253.7 15411.3
5 1 0 3 13.37 26.74 0.15 34.55 4 89.4 742.4
6 0 0 4 14.299 28.598 0.16 29.96 2 317.0 4045.8
7 1 1 3 15.641 31.282 0.175 24.72 8 497.6 32914.1
8 2 0 0 16.071 32.143 0.18 23.31 2 488.0 7462.7
9 0 2 0 16.096 32.193 0.18 23.24 2 487.2 7413.1
10 0 1 4 16.453 32.906 0.184 22.16 4 48.1 137.9
11 2 0 2 17.646 35.291 0.197 19.03 4 26.8 36.6
12 0 2 2 17.669 35.337 0.197 18.97 4 26.2 34.9
13 1 2 1 18.42 36.84 0.205 17.32 8 28.5 75.8
14 2 1 2 19.471 38.941 0.216 15.32 8 54.1 241.1
15 1 0 5 19.776 39.551 0.22 14.8 4 32.7 42.6
16 1 2 3 21.163 42.327 0.234 12.72 8 73.4 368.9
17 1 1 5 21.447 42.894 0.237 12.35 8 102.7 700.5
18 0 0 6 21.745 43.49 0.24 11.97 2 308.2 1528.5
19 2 0 4 21.777 43.554 0.241 11.93 4 375.1 4512.9
20 0 2 4 21.796 43.593 0.241 11.91 4 375.5 4514.2
21 2 2 0 23.067 46.133 0.254 10.48 4 520.3 7627.5
22 0 1 6 23.301 46.602 0.257 10.24 4 120.7 401.2
23 2 1 4 23.332 46.663 0.257 10.21 8 43.3 103.2
24 2 2 2 24.255 48.51 0.267 9.35 8 105.0 554.2
25 3 0 1 24.823 49.646 0.273 8.87 4 32.3 24.9
26 0 3 2 25.711 51.421 0.282 8.19 4 50.6 56.5
27 1 2 5 25.94 51.88 0.284 8.03 8 25.1 27.1
28 3 1 1 26.239 52.478 0.287 7.82 8 215.0 1943.8
29 1 3 1 26.272 52.545 0.287 7.8 8 214.9 1936.6
30 1 0 7 26.991 53.981 0.295 7.33 4 116.5 267.4
31 3 0 3 27.045 54.091 0.295 7.3 4 62.9 77.7
32 2 0 6 27.547 55.095 0.3 7.0 4 352.9 2343.8
33 0 2 6 27.564 55.127 0.3 6.99 4 353.3 2345.4
34 2 2 4 27.591 55.181 0.301 6.97 8 279.7 2934.0
35 1 1 7 28.33 56.659 0.308 6.57 8 346.1 4229.5
36 3 1 3 28.383 56.765 0.309 6.54 8 413.2 6005.3
37 1 3 3 28.414 56.829 0.309 6.52 8 413.1 5985.0
38 2 1 6 28.869 57.738 0.313 6.29 8 112.4 427.2
39 0 3 4 28.927 57.854 0.314 6.27 4 40.1 27.0
40 0 0 8 29.602 59.203 0.321 5.95 2 258.2 533.0
41 3 2 1 30.206 60.412 0.327 5.69 8 14.9 6.8
42 0 1 8 30.867 61.734 0.333 5.42 4 38.3 21.4
43 2 3 2 30.973 61.946 0.334 5.38 8 47.8 65.9
44 3 0 5 31.161 62.322 0.336 5.31 4 19.4 5.4
45 1 2 7 32.129 64.258 0.345 4.96 8 114.0 346.5
46 3 2 3 32.178 64.357 0.346 4.95 8 73.6 144.1
47 3 1 5 32.391 64.782 0.348 4.88 8 86.7 197.2
48 1 3 5 32.42 64.84 0.348 4.87 8 86.7 196.7
49 2 2 6 32.631 65.261 0.35 4.8 8 271.4 1900.5
50 4 0 0 33.619 67.238 0.359 4.5 2 444.8 1197.7
51 0 4 0 33.677 67.354 0.36 4.49 2 445.9 1199.4
52 0 3 6 33.846 67.692 0.362 4.44 4 105.7 133.3
53 2 3 4 33.87 67.74 0.362 4.43 8 37.5 33.5
54 2 0 8 34.489 68.979 0.368 4.27 4 186.8 400.8
55 0 2 8 34.504 69.007 0.368 4.27 4 186.5 398.8
56 4 0 2 34.56 69.121 0.368 4.25 4 86.9 86.4
57 0 4 2 34.617 69.235 0.369 4.24 4 88.3 88.8
58 1 0 9 34.938 69.876 0.372 4.16 4 99.6 110.9
59 1 4 1 35.089 70.178 0.373 4.12 8 19.1 8.1
60 2 1 8 35.66 71.32 0.378 3.99 8 35.8 27.6
61 4 1 2 35.73 71.46 0.379 3.98 8 45.3 43.9
62 3 2 5 35.947 71.895 0.381 3.93 8 31.6 21.1
63 1 1 9 36.102 72.205 0.382 3.9 8 163.0 556.8
64 3 3 1 36.223 72.447 0.384 3.87 8 190.5 755.7
65 3 0 7 36.825 73.65 0.389 3.75 4 111.5 125.4
66 1 4 3 36.927 73.853 0.39 3.73 8 65.1 85.0
67 4 0 4 37.32 74.639 0.394 3.66 4 253.7 633.7
68 0 4 4 37.375 74.749 0.394 3.65 4 252.3 624.7
69 3 1 7 37.966 75.932 0.399 3.55 8 307.7 1806.7
70 1 3 7 37.994 75.987 0.4 3.54 8 307.6 1803.2
71 3 3 3 38.039 76.079 0.4 3.54 8 366.1 2549.3
72 0 0 10 38.131 76.262 0.401 3.52 2 303.9 437.3
73 4 2 0 38.258 76.517 0.402 3.5 4 373.1 1310.2
74 2 4 0 38.299 76.599 0.402 3.5 4 371.9 1299.8
75 4 1 4 38.456 76.911 0.404 3.47 8 35.4 23.3
76 2 3 6 38.46 76.92 0.404 3.47 8 100.2 187.3
77 2 2 8 39.086 78.172 0.409 3.38 8 225.7 925.1
78 4 2 2 39.154 78.308 0.41 3.37 8 35.7 23.0
79 2 4 2 39.194 78.389 0.41 3.36 8 34.7 21.8
80 0 1 10 39.259 78.518 0.411 3.35 4 157.2 222.7
81 1 2 9 39.515 79.029 0.413 3.32 8 98.6 173.4
82 0 3 8 40.22 80.44 0.419 3.23 4 33.8 9.9
83 1 4 5 40.51 81.02 0.422 3.19 8 26.2 11.8
84 3 2 7 41.33 82.66 0.429 3.1 8 94.5 149.1
85 3 3 5 41.595 83.189 0.431 3.08 8 78.0 100.7
86 4 0 6 41.773 83.547 0.432 3.06 4 247.7 504.5
87 4 2 4 41.809 83.618 0.433 3.06 8 284.7 1331.9
88 0 4 6 41.827 83.654 0.433 3.05 4 246.4 498.3
89 2 4 4 41.849 83.698 0.433 3.05 8 285.5 1337.3
90 2 0 10 42.585 85.169 0.439 2.99 4 244.0 478.2
91 0 2 10 42.598 85.196 0.439 2.99 4 243.7 476.7
92 4 1 6 42.879 85.759 0.442 2.96 8 95.6 145.6
93 2 1 10 43.688 87.376 0.448 2.9 8 149.8 350.5
94 1 0 11 43.881 87.762 0.45 2.89 4 113.6 100.3
95 3 0 9 43.926 87.851 0.45 2.89 4 97.6 74.0
96 5 0 1 44.014 88.028 0.451 2.88 4 11.1 1.0
97 3 4 1 44.067 88.135 0.451 2.88 8 24.8 9.5
98 2 3 8 44.633 89.266 0.456 2.85 8 32.1 15.7
99 4 3 2 44.7 89.399 0.457 2.84 8 41.5 26.3
100 0 5 2 44.753 89.506 0.457 2.84 4 41.5 13.1
101 1 1 11 44.983 89.965 0.459 2.83 8 266.8 1082.8
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 0 2 7.094 14.187 6.2375 3190.7 9.7 9.8 5.6
2 0 1 2 10.699 21.399 4.149 506.5 1.5 1.6 5.6
3 1 1 1 11.853 23.706 3.75014 15411.3 46.8 47.1 5.6
4 1 0 3 13.37 26.74 3.33107 742.4 2.3 2.3 5.6
5 0 0 4 14.299 28.598 3.11875 4045.8 12.3 12.3 5.6
6 1 1 3 15.641 31.282 2.85701 32914.1 100.0 100.0 5.6
7 2 0 0 16.071 32.143 2.78245 14875.8 45.2 45.2 5.6
8 1 2 3 21.163 42.327 2.13357 368.9 1.1 1.1 5.7
9 1 1 5 21.447 42.894 2.10668 700.5 2.1 2.1 5.7
10 0 0 6 21.745 43.49 2.07917 1528.5 4.6 4.6 5.7
11 0 2 4 21.796 43.593 2.0745 9027.0 27.4 27.1 5.7
12 2 2 0 23.067 46.133 1.966 7627.5 23.2 22.8 5.7
13 0 1 6 23.301 46.602 1.9473 401.2 1.2 1.2 5.7
14 2 2 2 24.255 48.51 1.87507 554.2 1.7 1.7 5.7
15 3 1 1 26.239 52.478 1.74227 1943.8 5.9 5.8 5.8
16 1 3 1 26.272 52.545 1.7402 1936.6 5.9 5.8 5.8
17 0 2 6 27.564 55.127 1.66463 7623.2 23.2 22.6 5.8
18 1 1 7 28.33 56.659 1.6232 4229.5 12.9 12.5 5.8
19 3 1 3 28.383 56.765 1.62042 6005.3 18.2 17.7 5.8
20 1 3 3 28.414 56.829 1.61876 5985.0 18.2 17.7 5.8
21 2 1 6 28.869 57.738 1.5954 427.2 1.3 1.3 5.8
22 0 0 8 29.602 59.203 1.55938 533.0 1.6 1.6 5.8
23 1 2 7 32.129 64.258 1.44835 346.5 1.1 1.0 5.9
24 2 2 6 32.631 65.261 1.42851 1900.5 5.8 5.5 5.9
25 4 0 0 33.619 67.238 1.39123 1197.7 3.6 3.5 5.9
26 0 4 0 33.677 67.354 1.38913 1199.4 3.6 3.5 5.9
27 2 0 8 34.489 68.979 1.36031 799.5 2.4 2.3 5.9
28 1 1 9 36.102 72.205 1.30726 556.8 1.7 1.6 5.9
29 3 3 1 36.223 72.447 1.30349 755.7 2.3 2.2 5.9
30 4 0 4 37.32 74.639 1.27054 633.7 1.9 1.8 6.0
31 0 4 4 37.375 74.749 1.26894 624.7 1.9 1.8 6.0
32 3 1 7 37.966 75.932 1.25209 3609.9 11.0 10.3 6.0
33 3 3 3 38.039 76.079 1.25005 2549.3 7.7 7.3 6.0
34 0 0 10 38.131 76.262 1.2475 437.3 1.3 1.3 6.0
35 4 2 0 38.258 76.517 1.24397 1310.2 4.0 3.7 6.0
36 2 4 0 38.299 76.599 1.24285 1299.8 3.9 3.7 6.0
37 2 2 8 39.086 78.172 1.22173 925.1 2.8 2.6 6.0
38 4 0 6 41.773 83.547 1.15626 504.5 1.5 1.4 6.1
39 4 2 4 41.809 83.618 1.15545 1830.2 5.6 5.1 6.1
40 2 4 4 41.849 83.698 1.15455 1337.3 4.1 3.8 6.1
41 2 0 10 42.585 85.169 1.13833 954.9 2.9 2.7 6.1
42 2 1 10 43.688 87.376 1.11516 350.5 1.1 1.0 6.2
43 1 1 11 44.983 89.965 1.08967 1082.8 3.3 3.0 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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