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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TEALLITE
1, t-herzenbergite
[Pb(0.41)Sn(0.59)][S(0.93)Se(0.07)]
Orthorhombic P nma Z = 2
Pnma
20 .9 .1906
Ref.Str.:
Sejkora J., Berlepsch P., Makovicky E., Balic-Zunic T., Litochleb J. (2002)
* Neues Jb. Mineral., Abh., 177, 163-180
Reserv:
from Radvanice near Trutnov, Czech Republic. N.A.D
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.4085 alpha = 90.0
b = 4.086 beta = 90.0
c = 4.2813 gamma = 90.0
Unit cell volume (cub. angs.) = 199.57
Molar volume ( cub.cm/mol.) = 60.11
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1207 0.25 0.1089 0.0 Pb = 0.41, Sn = 0.59
2 0.3533 0.25 0.029 0.0 S = 0.93, Se = 0.07
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1207 0.25 0.1089
2 2 0.3533 0.25 0.029
3 1 0.3793 0.75 0.6089
4 2 0.1467 0.75 0.529
5 1 0.6207 0.25 0.3911
6 2 0.8533 0.25 0.471
7 1 0.8793 0.75 0.8911
8 2 0.6467 0.75 0.971
X-ray density (g/cm cub.) = 6.33
MU (1/cm) = 1357.375 Mass attenuation coefficient (cm**2/g) = 214.361
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Sn 3.828 6
2.6756 2
2.738 2
3.2289 2
2.738 2
3.2289 2
3.4219 2
2 S ,Se 4.632 10
4.086 2
4.2813 2
4.2813 2
4.086 2
3.7831 2
3.7831 2
3.7831 2
3.7831 2
3.9293 2
3.9293 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 7.761 15.521 0.088 106.73 2 4.7 12.0
2 1 0 1 11.079 22.159 0.125 51.26 4 89.6 4130.8
3 2 0 1 13.0 26.001 0.146 36.66 4 126.5 5887.6
4 2 1 0 13.408 26.817 0.151 34.34 4 160.5 8888.1
5 0 1 1 15.105 30.211 0.169 26.64 4 142.1 5404.0
6 1 1 1 15.617 31.233 0.175 24.8 8 152.2 11544.9
7 4 0 0 15.669 31.337 0.175 24.63 2 251.7 7833.7
8 3 0 1 15.719 31.438 0.176 24.46 4 56.0 768.9
9 2 1 1 17.068 34.136 0.191 20.46 8 4.5 8.2
10 4 0 1 18.936 37.872 0.211 16.29 4 18.1 53.5
11 4 1 0 19.23 38.46 0.214 15.75 4 46.4 340.5
12 3 1 1 19.272 38.544 0.214 15.67 8 133.9 5644.3
13 0 0 2 21.09 42.18 0.234 12.82 2 82.0 432.9
14 1 0 2 21.476 42.952 0.238 12.31 4 141.7 2484.2
15 4 1 1 22.043 44.085 0.244 11.61 8 126.1 3707.9
16 0 2 0 22.15 44.3 0.245 11.49 2 234.6 3173.4
17 5 0 1 22.491 44.982 0.248 11.1 4 111.5 1385.1
18 2 0 2 22.603 45.205 0.249 10.97 4 9.3 9.5
19 2 2 0 23.609 47.217 0.26 9.94 4 1.9 0.4
20 6 0 0 23.898 47.796 0.263 9.67 2 2.3 0.2
21 1 1 2 24.318 48.636 0.267 9.3 8 121.0 2735.3
22 3 0 2 24.389 48.778 0.268 9.24 4 142.5 1882.2
23 1 2 1 25.036 50.071 0.275 8.7 8 76.6 1024.7
24 5 1 1 25.244 50.487 0.277 8.54 8 126.8 2757.9
25 2 1 2 25.346 50.692 0.278 8.46 8 2.2 0.8
26 2 2 1 26.043 52.086 0.285 7.95 8 105.6 1781.4
27 6 0 1 26.312 52.625 0.288 7.77 4 106.0 877.1
28 6 1 0 26.54 53.08 0.29 7.62 4 146.8 1648.5
29 4 0 2 26.738 53.476 0.292 7.49 4 68.7 355.6
30 3 1 2 26.996 53.992 0.295 7.33 8 98.3 1421.2
31 4 2 0 27.631 55.263 0.301 6.95 4 209.2 3055.5
32 3 2 1 27.663 55.327 0.301 6.93 8 50.2 350.9
33 6 1 1 28.796 57.591 0.313 6.33 8 12.2 19.0
34 4 1 2 29.197 58.393 0.317 6.14 8 23.2 66.2
35 5 0 2 29.565 59.129 0.32 5.97 4 115.3 796.0
36 4 2 1 29.832 59.664 0.323 5.85 8 15.3 27.6
37 7 0 1 30.379 60.757 0.328 5.61 4 35.1 69.4
38 0 2 2 31.412 62.824 0.338 5.21 4 69.8 254.9
39 1 2 2 31.705 63.409 0.341 5.11 8 122.6 1542.1
40 5 1 2 31.883 63.767 0.343 5.05 8 127.4 1645.0
41 5 2 1 32.487 64.975 0.349 4.84 8 97.2 919.1
42 2 2 2 32.575 65.149 0.349 4.82 8 7.9 6.0
43 7 1 1 32.664 65.328 0.35 4.79 8 98.5 933.6
44 8 0 0 32.693 65.387 0.351 4.78 2 177.3 754.8
45 6 0 2 32.809 65.618 0.352 4.74 4 20.8 20.5
46 1 0 3 32.954 65.907 0.353 4.7 4 74.5 262.0
47 6 2 0 33.602 67.203 0.359 4.51 4 1.5 0.1
48 2 0 3 33.806 67.613 0.361 4.45 4 123.7 683.6
49 3 2 2 33.998 67.996 0.363 4.4 8 124.9 1378.6
50 8 0 1 34.703 69.406 0.37 4.22 4 27.6 32.2
51 0 1 3 34.871 69.741 0.371 4.18 4 160.2 1076.2
52 8 1 0 34.897 69.793 0.371 4.17 4 67.1 188.7
53 6 1 2 35.009 70.017 0.372 4.14 8 7.7 4.9
54 1 1 3 35.149 70.297 0.374 4.11 8 25.2 52.4
55 3 0 3 35.205 70.41 0.374 4.1 4 77.0 243.9
56 2 3 0 35.552 71.105 0.377 4.02 4 121.7 597.5
57 6 2 1 35.586 71.172 0.378 4.01 8 93.7 706.4
58 4 2 2 35.945 71.889 0.381 3.93 8 60.7 291.2
59 2 1 3 35.977 71.953 0.381 3.92 8 2.3 0.4
60 0 3 1 36.404 72.809 0.385 3.84 4 105.2 426.0
61 7 0 2 36.443 72.885 0.386 3.83 4 124.1 591.9
62 1 3 1 36.677 73.355 0.388 3.78 8 111.4 942.6
63 8 1 1 36.85 73.7 0.389 3.75 8 98.7 734.1
64 4 0 3 37.124 74.249 0.392 3.7 4 24.6 22.4
65 3 1 3 37.34 74.68 0.394 3.66 8 43.0 136.0
66 2 3 1 37.492 74.984 0.395 3.63 8 3.5 0.9
67 5 2 2 38.387 76.774 0.403 3.48 8 102.9 740.9
68 7 1 2 38.551 77.102 0.405 3.46 8 70.9 349.3
69 4 3 0 38.809 77.618 0.407 3.42 4 34.8 41.7
70 3 3 1 38.836 77.672 0.407 3.41 8 102.2 716.7
71 7 2 1 39.109 78.217 0.409 3.37 8 31.1 65.6
72 4 1 3 39.22 78.441 0.41 3.36 8 148.5 1486.9
73 9 0 1 39.326 78.653 0.411 3.34 4 114.8 442.3
74 5 0 3 39.541 79.082 0.413 3.31 4 58.5 113.8
75 8 0 2 40.468 80.937 0.421 3.2 4 44.3 63.0
76 4 3 1 40.696 81.391 0.423 3.17 8 98.4 617.4
77 8 2 0 41.202 82.404 0.428 3.12 4 159.8 799.7
78 6 2 2 41.308 82.617 0.428 3.11 8 19.0 22.5
79 9 1 1 41.39 82.78 0.429 3.1 8 89.7 500.1
80 1 2 3 41.441 82.882 0.43 3.09 8 67.3 281.6
81 5 1 3 41.602 83.205 0.431 3.08 8 11.6 8.3
82 2 2 3 42.23 84.459 0.436 3.02 8 111.4 752.5
83 1 3 2 42.354 84.708 0.437 3.01 8 95.9 555.1
84 6 0 3 42.444 84.888 0.438 3.0 4 114.7 395.9
85 10 0 0 42.468 84.936 0.438 3.0 2 5.0 0.4
86 8 1 2 42.52 85.041 0.439 2.99 8 34.8 72.7
87 5 3 1 43.061 86.122 0.443 2.95 8 101.1 605.8
88 8 2 1 43.067 86.133 0.443 2.95 8 25.0 37.1
89 2 3 2 43.14 86.28 0.444 2.94 8 1.9 0.2
90 3 2 3 43.539 87.078 0.447 2.91 8 70.1 287.9
91 6 3 0 44.081 88.162 0.452 2.88 4 117.5 399.0
92 10 0 1 44.326 88.652 0.454 2.86 4 85.3 209.5
93 3 3 2 44.447 88.895 0.455 2.86 8 78.9 356.9
94 6 1 3 44.483 88.967 0.455 2.86 8 7.5 3.2
95 10 1 0 44.508 89.015 0.455 2.85 4 129.8 482.8
96 7 2 2 44.714 89.428 0.457 2.84 8 112.7 725.8
97 9 0 2 44.928 89.855 0.458 2.83 4 82.3 192.5
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 1 0 1 11.079 22.159 4.00835 4130.8 35.8 36.0 5.6
2 2 0 1 13.0 26.001 3.42414 5887.6 51.0 51.2 5.6
3 2 1 0 13.408 26.817 3.32173 8888.1 77.0 77.3 5.6
4 0 1 1 15.105 30.211 2.95587 5404.0 46.8 46.8 5.6
5 1 1 1 15.617 31.233 2.86139 11544.9 100.0 100.0 5.6
6 4 0 0 15.669 31.337 2.85212 7833.7 67.9 67.8 5.6
7 3 0 1 15.719 31.438 2.84319 768.9 6.7 6.7 5.6
8 4 1 0 19.23 38.46 2.33872 340.5 2.9 2.9 5.7
9 3 1 1 19.272 38.544 2.33378 5644.3 48.9 48.6 5.7
10 0 0 2 21.09 42.18 2.14065 432.9 3.8 3.7 5.7
11 1 0 2 21.476 42.952 2.10393 2484.2 21.5 21.3 5.7
12 4 1 1 22.043 44.085 2.05245 3707.9 32.1 31.7 5.7
13 0 2 0 22.15 44.3 2.043 3173.4 27.5 27.1 5.7
14 5 0 1 22.491 44.982 2.01359 1385.1 12.0 11.8 5.7
15 1 1 2 24.318 48.636 1.87053 2735.3 23.7 23.3 5.7
16 3 0 2 24.389 48.778 1.86541 1882.2 16.3 16.0 5.7
17 1 2 1 25.036 50.071 1.82021 1024.7 8.9 8.7 5.7
18 5 1 1 25.244 50.487 1.80618 2757.9 23.9 23.4 5.8
19 2 2 1 26.043 52.086 1.75445 1781.4 15.4 15.1 5.8
20 6 0 1 26.312 52.625 1.73774 877.1 7.6 7.4 5.8
21 6 1 0 26.54 53.08 1.7239 1648.5 14.3 14.0 5.8
22 4 0 2 26.738 53.476 1.71207 355.6 3.1 3.0 5.8
23 3 1 2 26.996 53.992 1.69693 1421.2 12.3 12.0 5.8
24 4 2 0 27.631 55.263 1.66087 3055.5 26.5 25.8 5.8
25 3 2 1 27.663 55.327 1.6591 350.9 3.0 3.0 5.8
26 5 0 2 29.565 59.129 1.56115 796.0 6.9 6.7 5.8
27 0 2 2 31.412 62.824 1.47794 254.9 2.2 2.1 5.9
28 1 2 2 31.705 63.409 1.46569 1542.1 13.4 12.9 5.9
29 5 1 2 31.883 63.767 1.45833 1645.0 14.2 13.7 5.9
30 5 2 1 32.487 64.975 1.43411 919.1 8.0 7.6 5.9
31 7 1 1 32.664 65.328 1.42722 933.6 8.1 7.8 5.9
32 8 0 0 32.693 65.387 1.42606 754.8 6.5 6.3 5.9
33 1 0 3 32.954 65.907 1.41606 262.0 2.3 2.2 5.9
34 2 0 3 33.806 67.613 1.38443 683.6 5.9 5.7 5.9
35 3 2 2 33.998 67.996 1.37756 1378.6 11.9 11.4 5.9
36 0 1 3 34.871 69.741 1.34729 1264.9 11.0 10.4 5.9
37 3 0 3 35.205 70.41 1.33612 243.9 2.1 2.0 5.9
38 2 3 0 35.552 71.105 1.32476 597.5 5.2 4.9 5.9
39 6 2 1 35.586 71.172 1.32367 706.4 6.1 5.8 5.9
40 4 2 2 35.945 71.889 1.31222 291.2 2.5 2.4 5.9
41 0 3 1 36.404 72.809 1.29791 426.0 3.7 3.5 6.0
42 7 0 2 36.443 72.885 1.29673 591.9 5.1 4.9 6.0
43 1 3 1 36.677 73.355 1.28959 942.6 8.2 7.7 6.0
44 8 1 1 36.85 73.7 1.2844 734.1 6.4 6.0 6.0
45 3 1 3 37.34 74.68 1.26994 136.0 1.2 1.1 6.0
46 5 2 2 38.387 76.774 1.24045 740.9 6.4 6.0 6.0
47 7 1 2 38.551 77.102 1.23598 349.3 3.0 2.8 6.0
48 3 3 1 38.836 77.672 1.22833 758.4 6.6 6.2 6.0
49 4 1 3 39.22 78.441 1.21821 1486.9 12.9 12.1 6.0
50 9 0 1 39.326 78.653 1.21545 442.3 3.8 3.6 6.0
51 4 3 1 40.696 81.391 1.18134 617.4 5.3 5.0 6.1
52 8 2 0 41.202 82.404 1.16936 799.7 6.9 6.4 6.1
53 9 1 1 41.39 82.78 1.165 500.1 4.3 4.0 6.1
54 1 2 3 41.441 82.882 1.16383 281.6 2.4 2.3 6.1
55 2 2 3 42.23 84.459 1.14608 752.5 6.5 6.0 6.1
56 1 3 2 42.354 84.708 1.14334 555.1 4.8 4.4 6.1
57 6 0 3 42.444 84.888 1.14138 396.3 3.4 3.2 6.1
58 5 3 1 43.061 86.122 1.12816 643.0 5.6 5.1 6.1
59 3 2 3 43.539 87.078 1.11821 287.9 2.5 2.3 6.1
60 6 3 0 44.081 88.162 1.10724 399.0 3.5 3.2 6.2
61 10 0 1 44.326 88.652 1.10238 209.5 1.8 1.7 6.2
62 3 3 2 44.447 88.895 1.1 356.9 3.1 2.8 6.2
63 10 1 0 44.508 89.015 1.09882 486.0 4.2 3.8 6.2
64 7 2 2 44.714 89.428 1.09482 725.8 6.3 5.7 6.2
65 9 0 2 44.928 89.855 1.09072 192.5 1.7 1.5 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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