LiZn4 - x (x = 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing.
Author
Summary, in English
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.
Department/s
Publishing year
2014
Language
English
Pages
212-217
Publication/Series
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
Volume
70
Issue
Pt 2
Document type
Journal article
Publisher
Wiley-Blackwell
Topic
- Chemical Sciences
Status
Published
ISBN/ISSN/Other
- ISSN: 2052-5206