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Title: Synthesis and structure of Ba{sub 6}Co{sub 6}ClO{sub 16}, a new cobalt oxychloride with a layered perovskite-related structure

Well-developed single crystals of the title compound were prepared using a BaCl{sub 2} flux and investigated by X-ray diffraction methods using Mo(K{alpha}) radiation and a Charge Coupled Device (CCD) detector. The crystal structure was solved and refined in the hexagonal symmetry with P6-bar m2 space group, a=5.6698(2)A and c=14.4654(5)A to a final R{sub 1}=0.022 for 44 parameters with 1418 individual reflections. The structure of Ba{sub 6}Co{sub 6}ClO{sub 16}, which is related to the 6H-perovkite-type structure of BaMnO{sub 2.88}, is formed by the periodic stacking along [001] of five [BaO{sub 3}] layers separated by a [BaOCl] with a (hhhchc) stacking sequence. The [BaO{sub 3}] stacking creates tetranuclear face sharing octahedra units Co{sub 4}O{sub 15} containing Co(III) connected by dimers of corner-sharing CoO{sub 4} tetrahedra. This new oxychloride belongs to the family of compounds formulated as [BaOCl]M'{sub 2}[Ba{sub n+1}M{sub n}O{sub 3n+3}] where n represents the thickness of the octahedral string in hexagonal perovskite slabs.
Authors:
 [1] ;  [1] ;  [2]
  1. Laboratoire de Cristallochimie et Physicochimie du Solide, UMR CNRS 8012, ENSCL, Universite des Sciences et Technologies de Lille, B. P. 90108, 59652 Villeneuve d'Ascq Cedex (France)
  2. Laboratoire de Cristallochimie et Physicochimie du Solide, UMR CNRS 8012, ENSCL, Universite des Sciences et Technologies de Lille, B. P. 90108, 59652 Villeneuve d'Ascq Cedex (France). E-mail: francis.abraham@ensc-lille.fr
Publication Date:
OSTI Identifier:
20721727
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 178; Journal Issue: 10; Other Information: DOI: 10.1016/j.jssc.2005.07.016; PII: S0022-4596(05)00333-6; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BARIUM CHLORIDES; BARIUM COMPOUNDS; CHARGE-COUPLED DEVICES; COBALT COMPOUNDS; DIMERS; HEXAGONAL LATTICES; LAYERS; MONOCRYSTALS; OXYCHLORIDES; PEROVSKITE; SPACE GROUPS; SYMMETRY; SYNTHESIS; X-RAY DIFFRACTION