Startseite Twinned single crystal structure of Li4P2S6
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Twinned single crystal structure of Li4P2S6

  • Hamdi Ben Yahia ORCID logo EMAIL logo , Kota Motohashi , Shigeo Mori , Atsushi Sakuda und Akitoshi Hayashi ORCID logo EMAIL logo
Veröffentlicht/Copyright: 18. Mai 2023
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Zeitschrift für Kristallographie - Crystalline Materials
Aus der Zeitschrift Zeitschrift für Kristallographie - Crystalline Materials Band 238 Heft 5-6

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(F2) = 0.069, 716 reflections, 40 variables]. Li4P2S6 crystallizes in the trigonal system, space group P 3 ‾ m 1 (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 -, 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).

Keywords: crystal structure; solid electrolyte; solid state synthesis; twinned crystal
Corresponding authors: Hamdi Ben Yahia and Akitoshi Hayashi, Department of Applied Chemistry, Graduate School of Engineering, Osaka Metropolitan University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka, 599-8531, Japan, E-mail: ,

Funding source: JSPS KAKENHI

Award Identifier / Grant number: 19H05816

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This study was supported by JSPS KAKENHI (Grant Numbers 19H05816).

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary Material

This article contains supplementary material (https://doi.org/10.1515/zkri-2023-0013).

Received: 2023-03-16
Accepted: 2023-04-28
Published Online: 2023-05-18
Published in Print: 2023-05-25

© 2023 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Inorganic Crystal Structures (Original Paper)
  4. Incorporation of Pb in (Al,Ge)-mullites in the presence of Fe, Cr, Nd, and Sm
  5. Synthesis, structural and spectroscopic investigations of dolomite-type MSn(BO3)2 with M = Mn, Fe, Co and Ni
  6. Synthesis and crystal structure of two novel polymorphs of (NaCl)[Cu(HSeO3)2]: a further contribution to the family of layered copper hydrogen selenites
  7. Ternary amalgams: expanding the structural variety of the Gd14Ag51 family
  8. Ternary orthorhombic Laves phases Sr2Pd3Sn, Eu2Pd3Sn and Eu2Pd3In
  9. Twinned single crystal structure of Li4P2S6
  10. Organic and Metalorganic Crystal Structures (Original Paper)
  11. Crystal structures of two phases of Pigment Yellow 110 from X-ray powder diffraction data
https://doi.org/10.1515/zkri-2023-0013
Schlagwörter für diesen Artikel
crystal structure; solid electrolyte; solid state synthesis; twinned crystal

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Inorganic Crystal Structures (Original Paper)
  4. Incorporation of Pb in (Al,Ge)-mullites in the presence of Fe, Cr, Nd, and Sm
  5. Synthesis, structural and spectroscopic investigations of dolomite-type MSn(BO3)2 with M = Mn, Fe, Co and Ni
  6. Synthesis and crystal structure of two novel polymorphs of (NaCl)[Cu(HSeO3)2]: a further contribution to the family of layered copper hydrogen selenites
  7. Ternary amalgams: expanding the structural variety of the Gd14Ag51 family
  8. Ternary orthorhombic Laves phases Sr2Pd3Sn, Eu2Pd3Sn and Eu2Pd3In
  9. Twinned single crystal structure of Li4P2S6
  10. Organic and Metalorganic Crystal Structures (Original Paper)
  11. Crystal structures of two phases of Pigment Yellow 110 from X-ray powder diffraction data
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