Twinned single crystal structure of Li4P2S6
Author:
Ben Yahia Hamdi1ORCID, Motohashi Kota1, Mori Shigeo2, Sakuda Atsushi1, Hayashi Akitoshi1ORCID
Affiliation:
1. Department of Applied Chemistry , Graduate School of Engineering, Osaka Metropolitan University , 1-1 Gakuen-cho, Naka-ku , Sakai , Osaka , 599-8531 , Japan 2. Department of Materials Science , Graduate School of Engineering, Osaka Metropolitan University , 1-1 Gakuen-cho, Naka-ku , Sakai , Osaka , 599-8531 , Japan
Abstract
Abstract
Yellow needles-like single crystals of Li4P2S6 were obtained serendipitously during the preparation of Li7P3S10O. The twinned crystal structure of Li4P2S6 was determined from single-crystal X-ray diffraction data [wR(F
2) = 0.069, 716 reflections, 40 variables]. Li4P2S6 crystallizes in the trigonal system, space group
P
3
‾
m
1
$P\overline{3}m1$
(N° 164), a = 10.5042(8) Å, c = 6.5837(6) Å, V = 629.11(9) Å3 and Z = 2. The lithium octahedra form a [Li4S6]8− honeycomb-like structure within which diphosphate units are located. The comparison of our crystal structure to those of P63/mcm-,
P
3
‾
1
m
$P\overline{3}1m$
-, and P321-Li4P2S6 demonstrated group-subgroup relationships and associated the disorder or order of the phosphorus atoms within the identical [Li4S6]8− 3d-frameworks to the choice of the unit cell (the subcell with a ∼ 6.07 Å vs. the supercell with a ∼ 10.5 Å).
Publisher
Walter de Gruyter GmbH
Subject
Inorganic Chemistry,Condensed Matter Physics,General Materials Science
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