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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MICHENERITE
1, s-michenerite
Pd[Bi(0.88)Sb(0.11)]Te
Cubic P 2(1)3 Z = 4
R =0.034 NR =849
10 .10 .1990
Ref.Str.:
Childs Jerry D., Hall S.R. (1973)
* Canad. Mineral., 12, 61-65
Reserv:
See U(ij) in original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.642 alpha = 90.0
b = 6.642 beta = 90.0
c = 6.642 gamma = 90.0
Unit cell volume (cub. angs.) = 293.02
Molar volume ( cub.cm/mol.) = 44.12
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0048 0.0048 0.0048 0.0 Pd = 1.00
2 0.627 0.627 0.627 0.0 Te = 1.00
3 0.3684 0.3684 0.3684 0.0 Bi = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0048 0.0048 0.0048
2 2 0.627 0.627 0.627
3 3 0.3684 0.3684 0.3684
4 1 0.4952 0.9952 0.5048
5 2 0.873 0.373 0.127
6 3 0.1316 0.6316 0.8684
7 1 0.9952 0.5048 0.4952
8 2 0.373 0.127 0.873
9 3 0.6316 0.8684 0.1316
10 1 0.5048 0.4952 0.9952
11 2 0.127 0.873 0.373
12 3 0.8684 0.1316 0.6316
X-ray density (g/cm cub.) = 10.04
MU (1/cm) = 2448.632 Mass attenuation coefficient (cm**2/g) = 243.932
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pd 3.324 6
2.7214 2
2.7703 3
2.7214 2
2.7703 3
2.7214 2
2.7703 3
2 Te 5.088 13
2.975 3
4.0676 2
4.0676 2
3.7155 3
3.6604 3
4.0676 2
4.0676 2
3.7155 3
3.6604 3
4.0676 2
4.0676 2
3.7155 3
3.6604 3
3 Bi 5.112 13
2.975 2
3.7155 2
3.6604 2
4.0693 3
4.0693 3
3.7155 2
3.6604 2
4.0693 3
4.0693 3
3.7155 2
3.6604 2
4.0693 3
4.0693 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 1 1 0 9.44 18.879 0.106 71.43 12 46.1 2119.7
2 1 1 1 11.588 23.175 0.13 46.68 8 48.7 1031.5
3 2 0 0 13.411 26.823 0.151 34.33 6 133.4 4271.0
4 1 2 0 15.03 30.059 0.168 26.93 12 72.4 1972.9
5 2 1 0 15.03 30.059 0.168 26.93 12 323.4 39357.0
6 1 1 2 16.503 33.007 0.184 22.01 24 217.7 29168.9
7 2 2 0 19.148 38.297 0.213 15.9 12 147.3 4820.9
8 2 2 1 20.36 40.719 0.226 13.87 24 18.7 136.0
9 1 3 0 21.514 43.029 0.238 12.26 12 67.2 774.7
10 3 1 0 21.514 43.029 0.238 12.26 12 17.0 49.6
11 1 1 3 22.621 45.242 0.25 10.95 24 281.9 24329.3
12 2 2 2 23.687 47.373 0.261 9.87 8 160.8 2376.4
13 2 3 0 24.717 49.434 0.271 8.96 12 247.0 7637.8
14 3 2 0 24.717 49.434 0.271 8.96 12 71.3 636.9
15 1 2 3 25.717 51.434 0.282 8.19 24 214.4 10516.0
16 3 2 1 25.717 51.434 0.282 8.19 24 168.4 6487.0
17 4 0 0 27.638 55.276 0.301 6.95 6 245.2 2918.4
18 1 4 0 28.565 57.131 0.31 6.45 12 5.6 2.9
19 2 2 3 28.565 57.131 0.31 6.45 24 24.5 108.5
20 4 1 0 28.565 57.131 0.31 6.45 12 33.2 99.5
21 1 1 4 29.474 58.947 0.319 6.01 24 49.9 418.1
22 3 3 0 29.474 58.947 0.319 6.01 12 50.9 217.2
23 3 3 1 30.365 60.73 0.328 5.62 24 31.0 150.5
24 2 4 0 31.241 62.482 0.337 5.28 12 139.2 1428.4
25 4 2 0 31.241 62.482 0.337 5.28 12 139.2 1428.4
26 1 2 4 32.103 64.206 0.345 4.97 24 44.7 277.4
27 4 2 1 32.103 64.206 0.345 4.97 24 254.6 9003.8
28 3 3 2 32.953 65.906 0.353 4.7 24 169.9 3791.9
29 2 2 4 34.621 69.241 0.369 4.24 24 113.8 1535.2
30 3 4 0 35.44 70.881 0.376 4.04 12 36.0 73.2
31 4 3 0 35.44 70.881 0.376 4.04 12 26.9 40.8
32 1 3 4 36.252 72.504 0.384 3.87 24 51.6 287.4
33 1 5 0 36.252 72.504 0.384 3.87 12 26.6 38.1
34 4 3 1 36.252 72.504 0.384 3.87 24 42.0 191.1
35 5 1 0 36.252 72.504 0.384 3.87 12 67.8 248.2
36 1 1 5 37.057 74.113 0.391 3.71 24 205.1 4362.6
37 3 3 3 37.057 74.113 0.391 3.71 8 259.0 2318.6
38 2 3 4 38.647 77.294 0.405 3.44 24 206.7 4109.9
39 2 5 0 38.647 77.294 0.405 3.44 12 262.3 3309.9
40 4 3 2 38.647 77.294 0.405 3.44 24 72.8 509.7
41 5 2 0 38.647 77.294 0.405 3.44 12 22.0 23.3
42 1 2 5 39.435 78.87 0.412 3.33 24 138.2 1778.2
43 5 2 1 39.435 78.87 0.412 3.33 24 176.4 2894.2
44 4 4 0 40.998 81.996 0.426 3.14 12 414.0 7516.6
45 2 2 5 41.775 83.549 0.432 3.06 24 19.7 33.2
46 4 4 1 41.775 83.549 0.432 3.06 24 40.3 139.2
47 3 3 4 42.549 85.098 0.439 2.99 24 31.6 83.3
48 3 5 0 42.549 85.098 0.439 2.99 12 21.1 18.6
49 5 3 0 42.549 85.098 0.439 2.99 12 48.0 96.1
50 1 3 5 43.322 86.643 0.445 2.93 24 30.3 75.0
51 5 3 1 43.322 86.643 0.445 2.93 24 30.3 75.0
52 4 4 2 44.093 88.186 0.452 2.88 24 80.7 524.0
53 6 0 0 44.093 88.186 0.452 2.88 6 154.5 480.4
54 1 6 0 44.864 89.728 0.458 2.84 12 26.3 27.4
55 6 1 0 44.864 89.728 0.458 2.84 12 217.6 1876.5
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 1 0 9.44 18.879 4.6966 2119.7 5.1 5.2 5.6
2 1 1 1 11.588 23.175 3.83476 1031.5 2.5 2.5 5.6
3 2 0 0 13.411 26.823 3.321 4271.0 10.3 10.4 5.6
4 2 1 0 15.03 30.059 2.97039 41329.9 100.0 100.0 5.6
5 1 1 2 16.503 33.007 2.71159 29168.9 70.6 70.4 5.6
6 2 2 0 19.148 38.297 2.3483 4820.9 11.7 11.6 5.7
7 1 3 0 21.514 43.029 2.10038 824.3 2.0 2.0 5.7
8 1 1 3 22.621 45.242 2.00264 24329.3 58.9 58.0 5.7
9 2 2 2 23.687 47.373 1.91738 2376.4 5.7 5.7 5.7
10 2 3 0 24.717 49.434 1.84216 8274.7 20.0 19.6 5.7
11 1 2 3 25.717 51.434 1.77515 17003.0 41.1 40.3 5.8
12 4 0 0 27.638 55.276 1.6605 2918.4 7.1 6.9 5.8
13 1 1 4 29.474 58.947 1.56553 635.3 1.5 1.5 5.8
14 2 4 0 31.241 62.482 1.4852 2856.8 6.9 6.7 5.8
15 4 2 1 32.103 64.206 1.4494 9281.2 22.5 21.6 5.9
16 3 3 2 32.953 65.906 1.41608 3791.9 9.2 8.8 5.9
17 2 2 4 34.621 69.241 1.35579 1535.2 3.7 3.5 5.9
18 1 3 4 36.252 72.504 1.3026 764.8 1.9 1.8 5.9
19 1 1 5 37.057 74.113 1.27825 6681.1 16.2 15.3 6.0
20 2 3 4 38.647 77.294 1.23339 7952.8 19.2 18.0 6.0
21 5 2 1 39.435 78.87 1.21266 4672.3 11.3 10.6 6.0
22 4 4 0 40.998 81.996 1.17415 7516.6 18.2 16.9 6.1
23 4 4 2 44.093 88.186 1.107 1004.4 2.4 2.2 6.2
24 6 1 0 44.864 89.728 1.09194 1903.9 4.6 4.2 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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