Description of Ba1 + xNixRh1 − xO3 with x = 0.1170 (5) in superspace: modulated composite versus modulated-layer structure

The structure of the compound Ba1 + xNixRh1 − xO3 [x = 0.1170 (5)] has been analyzed at room temperature within the (3 + 1)‐dimensional superspace approach using single‐crystal X‐ray diffraction data. Two different models are presented, the compound is refined as modulated composite as well as modul...

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Bibliographic Details
Published in:Acta crystallographica. Section B, Structural science Structural science, 2006-04, Vol.62 (2), p.197-204
Main Authors: Schönleber, Andreas, Perez-Mato, J. Manuel, Darriet, Jacques, Zur Loye, Hans-Conrad, Zúñiga, F. Javier
Format: Article
Language:English
Subjects:
Chemical Sciences
Composite materials
Condensed matter: structure, mechanical and thermal properties
Crystal structure
discontinuous atomic domains
Exact sciences and technology
Inorganic compounds
Material chemistry
perovskite-related compounds
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
superspace formalism
Water, oxides, hydroxides, peroxides
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Summary:The structure of the compound Ba1 + xNixRh1 − xO3 [x = 0.1170 (5)] has been analyzed at room temperature within the (3 + 1)‐dimensional superspace approach using single‐crystal X‐ray diffraction data. Two different models are presented, the compound is refined as modulated composite as well as modulated‐layer structure. In both models discontinuous atomic domains are applied to describe the structural modulations. While the first approach stresses the pseudo‐one‐dimensional constitution, the latter highlights the layered character of these structures.
ISSN:0108-7681
2052-5192
1600-5740
2052-5206
DOI:10.1107/S0108768105039212