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LiZn4 - x (x = 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing.

Pavlyuk, Volodymyr; Chumak, Ihor; Akselrud, Lev; Lidin, Sven LU and Ehrenberg, Helmut (2014) In Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials 70(Pt 2). p.212-217
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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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
volume
70
issue
Pt 2
pages
212 - 217
publisher
Wiley-Blackwell
external identifiers
  • pmid:24675590
  • scopus:84897450263
ISSN
2052-5206
DOI
10.1107/S2052520613030709
language
English
LU publication?
yes
id
56fca928-7fd4-472c-9d69-f94540c0f5d5 (old id 4379571)
date added to LUP
2014-04-28 11:25:06
date last changed
2017-02-19 03:47:10
@article{56fca928-7fd4-472c-9d69-f94540c0f5d5,
  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.},
  author       = {Pavlyuk, Volodymyr and Chumak, Ihor and Akselrud, Lev and Lidin, Sven and Ehrenberg, Helmut},
  issn         = {2052-5206},
  language     = {eng},
  number       = {Pt 2},
  pages        = {212--217},
  publisher    = {Wiley-Blackwell},
  series       = {	Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials },
  title        = {LiZn4 - x (x = 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing.},
  url          = {http://dx.doi.org/10.1107/S2052520613030709},
  volume       = {70},
  year         = {2014},
}