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Title: Synthesis and structural analysis of BaCrS{sub 2}

A new ternary chromium sulfide, BaCrS{sub 2}, was synthesized. This solid state compound crystallizes in the orthorhombic, centrosymmetric space group. The solid is similar to a previously known structure BaNiS{sub 2} in which the Ni atom is coordinated to five sulfur atoms in a square pyramidal fashion. In BaCrS{sub 2}, the square pyramid distorts such that the two S(basal)-Cr-S(basal) angles are no longer equal. Thus the BaCrS{sub 2} solid is orthorhombic whereas BaNiS{sub 2} is tetragonal. The distortion from the square pyramidal coordination in the title compound is traced to the broken degeneracy of the d{sub xy} and d{sub xz} set by a computational analysis.
Authors:
; ; ; ;  [1]
  1. Northern Illinois Univ., DeKalb, IL (United States). Dept. of Chemistry and Biochemistry
Publication Date:
OSTI Identifier:
343698
Resource Type:
Journal Article
Resource Relation:
Journal Name: Inorganic Chemistry; Journal Volume: 38; Journal Issue: 8; Other Information: PBD: 19 Apr 1999
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; BARIUM SULFIDES; CHROMIUM SULFIDES; SYNTHESIS; CRYSTAL STRUCTURE; EXPERIMENTAL DATA