LiZn4 - x (x = 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing.
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4379571
- author
- Pavlyuk, Volodymyr ; Chumak, Ihor ; Akselrud, Lev ; Lidin, Sven LU and Ehrenberg, Helmut
- organization
- publishing date
- 2014
- 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
- pmid:24675590
- wos:000333756300002
- 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
- 2016-04-01 13:16:22
- date last changed
- 2022-01-27 18:18:42
@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}}, doi = {{10.1107/S2052520613030709}}, volume = {{70}}, year = {{2014}}, }