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LiSbS 2 ‐ mC 16: Structure Determination from X‐ray Powder Diffraction Data
Author(s) -
Huber Sebastian,
Pfitzner Arno
Publication year - 2014
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201400058
Subject(s) - monoclinic crystal system , crystallography , octahedron , powder diffraction , antimony , crystal structure , chemistry , superstructure , lithium (medication) , x ray crystallography , diffraction , materials science , inorganic chemistry , physics , medicine , optics , thermodynamics , endocrinology
Monoclinic LiSbS 2 ‐ mC 16 was synthesized by solid‐state reaction of Li 2 S, Sb, and S in the ratio 1:2:5 at a temperature of 900 °C. The excess of sulfur serves as a kind of flux and is not incorporated in the structure. The product is air and moisture sensitive. The crystal structure of the dark red product was determined from X‐ray powder diffraction data at 293 K. LiSbS 2 ‐ mC 16 crystallizes in the space group C 2/ c (no. 15) with a = 8.0205(8) Å, b = 7.9243(8) Å, c = 6.6987(7) Å, β = 126.303(6)°, V = 343.11(7) Å 3 , and Z = 4. It forms an ordered NaCl type superstructure, which shows two different sites for the cations, whereas the cubic high temperature modification cF 8 exhibits only one position with a mixed occupation by lithium and antimony. Lithium has a slightly distorted octahedral coordination by sulfur. The distortion of the octahedral coordination polyhedron is much stronger in the case of antimony. Therefore it is better described as a 2 + 2 + 2 coordination mode.