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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ALTAITE
1, t-halite
PbTe
Cubic F m3m Z = 4
Fm3m
29 .4 .1992
Ref.Str.:
Wyckoff R.W.J. (1964)
* Crystal Structures, 1, 85-89
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.454 alpha = 90.0
b = 6.454 beta = 90.0
c = 6.454 gamma = 90.0
Unit cell volume (cub. angs.) = 268.84
Molar volume ( cub.cm/mol.) = 40.48
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 Pb = 1.00
2 0.5 0.5 0.5 0.0 Te = 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 0.5 0.5 0.5
3 1 0.5 0.0 0.5
4 1 0.5 0.5 0.0
5 1 0.0 0.5 0.5
6 2 0.0 0.5 0.0
7 2 0.0 0.0 0.5
8 2 0.5 0.0 0.0
X-ray density (g/cm cub.) = 8.27
MU (1/cm) = 2076.048 Mass attenuation coefficient (cm**2/g) = 251.056
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 4.044 6
3.227 2
3.227 2
3.227 2
3.227 2
3.227 2
3.227 2
2 Te 5.064 12
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 2
4.5637 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 1 1 1 11.93 23.86 0.134 43.92 8 98.5 4720.0
2 2 0 0 13.81 27.619 0.155 32.26 6 450.6 54370.8
3 2 2 0 19.729 39.458 0.219 14.88 12 413.3 42199.5
4 1 1 3 23.318 46.636 0.257 10.23 24 88.9 2685.9
5 2 2 2 24.421 48.842 0.268 9.21 8 386.9 15261.3
6 4 0 0 28.516 57.031 0.31 6.47 6 366.1 7203.4
7 3 3 1 31.348 62.696 0.338 5.24 24 81.5 1155.9
8 4 2 0 32.259 64.518 0.346 4.92 24 348.8 19868.6
9 2 2 4 35.781 71.562 0.38 3.97 24 333.8 14672.8
10 1 1 5 38.328 76.655 0.403 3.49 24 75.7 664.9
11 3 3 3 38.328 76.655 0.403 3.49 8 75.7 221.6
12 4 4 0 42.465 84.93 0.438 3.0 12 309.0 4750.2
13 5 3 1 44.917 89.834 0.458 2.83 48 71.2 954.9
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 1 11.93 23.86 3.72622 4720.0 8.7 8.7 5.6
2 2 0 0 13.81 27.619 3.227 54370.8 100.0 100.0 5.6
3 2 2 0 19.729 39.458 2.28183 42199.5 77.6 76.8 5.7
4 1 1 3 23.318 46.636 1.94595 2685.9 4.9 4.9 5.7
5 2 2 2 24.421 48.842 1.86311 15261.3 28.1 27.5 5.7
6 4 0 0 28.516 57.031 1.6135 7203.4 13.2 12.8 5.8
7 3 3 1 31.348 62.696 1.48065 1155.9 2.1 2.0 5.8
8 4 2 0 32.259 64.518 1.44316 19868.6 36.5 35.0 5.9
9 2 2 4 35.781 71.562 1.31742 14672.8 27.0 25.6 5.9
10 1 1 5 38.328 76.655 1.24207 886.5 1.6 1.5 6.0
11 4 4 0 42.465 84.93 1.14092 4750.2 8.7 8.0 6.1
12 5 3 1 44.917 89.834 1.09093 954.9 1.8 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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