Synthesis and structure of Ba{sub 6}Co{sub 6}ClO{sub 16}, a new cobalt oxychloride with a layered perovskite-related structure
- 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)
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.
- OSTI ID:
- 20721727
- Journal Information:
- Journal of Solid State Chemistry, Vol. 178, 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); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
Similar Records
Synthesis, Crystal Structure, and Magnetic and Electric Properties of the Cross-Linked Chain Cobalt Oxychloride Ba
Mixed metallic Ba(Co,Mn)X{sub 0.2-x}O{sub 3-{delta}} (X=F, Cl) hexagonal perovskites