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- Pavlyuk, Volodymyr, et al.
(författare)
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LiZn4 - x (x = 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing.
- 2014
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Ingår i: Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials. - 2052-5206. ; 70:Pt 2, s. 212-217
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Tidskriftsartikel (refereegranskat)abstract
- The (3+1)-dimensional modulated structure of the LiZn4 - x (x = 0.825) binary compound has been determined in the superspace. The compound crystallizes in the orthorhombic superspace group Cmcm(α00)0s0 with a = 2.7680 (6), b = 4.7942 (6), c = 4.3864 (9) Å, modulation wavevector: q ≃ 4/7a*. The structure is a derivative from the hexagonal close packing. The cubo-octahedron as a coordination polyhedron (c.n. = 12) is typical for all atoms. Bonding between atoms is explored by means of the TB-LMTO-ASA program package. The absence of strong interatomic interactions in LiZn4 - x is the main reason for the possible structure transformations.
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