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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BROMELLITE
3, t-wurtzite 2H
BeO
Hexagonal P 6(3)mc Z = 2
P6(3)mc
20 .4 .1992
Ref.Str.:
Wyckoff R.W.J. (1964)
* Crystal Structures, 1, 112
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 2.698 alpha = 90.0
b = 2.698 beta = 90.0
c = 4.38 gamma = 120.0
Unit cell volume (cub. angs.) = 27.61
Molar volume ( cub.cm/mol.) = 8.32
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.0 0.0 Be = 1.00
2 0.3333 0.6667 0.378 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.0
2 2 0.3333 0.6667 0.378
3 1 0.6667 0.3333 0.5
4 2 0.6667 0.3333 0.878
X-ray density (g/cm cub.) = 3.01
MU (1/cm) = 23.748 Mass attenuation coefficient (cm**2/g) = 7.897
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Be 2.04 4
1.6556 2
1.6468 2
1.6468 2
1.6468 2
2 O 3.264 12
2.698 2
2.698 2
2.698 2
2.698 2
2.698 2
2.698 2
2.6875 2
2.6875 2
2.6875 2
2.6875 2
2.6875 2
2.6875 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 0 0 19.249 38.497 0.214 15.72 6 7.4 681.1
2 0 0 2 20.593 41.186 0.228 13.53 2 11.2 446.8
3 1 0 1 21.94 43.881 0.243 11.73 12 6.7 824.9
4 1 0 2 28.821 57.641 0.313 6.32 12 4.4 189.7
5 1 1 0 34.82 69.64 0.371 4.19 6 9.8 316.5
6 1 0 3 38.471 76.942 0.404 3.47 12 7.3 288.1
7 2 0 0 41.249 82.498 0.428 3.11 6 4.3 45.6
8 1 1 2 42.116 84.232 0.435 3.03 12 6.4 194.5
9 2 0 1 43.03 86.061 0.443 2.95 12 3.4 53.5
10 0 0 4 44.705 89.409 0.457 2.84 2 2.4 4.4
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 0 19.249 38.497 2.33654 681.1 82.6 83.0 5.7
2 0 0 2 20.593 41.186 2.19 446.8 54.2 54.3 5.7
3 1 0 1 21.94 43.881 2.06155 824.9 100.0 100.0 5.7
4 1 0 2 28.821 57.641 1.59786 189.7 23.0 22.6 5.8
5 1 1 0 34.82 69.64 1.349 316.5 38.4 37.0 5.9
6 1 0 3 38.471 76.942 1.23816 288.1 34.9 33.2 6.0
7 2 0 0 41.249 82.498 1.16827 45.6 5.5 5.2 6.1
8 1 1 2 42.116 84.232 1.14858 194.5 23.6 22.1 6.1
9 2 0 1 43.03 86.061 1.1288 53.5 6.5 6.0 6.1
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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