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Philosophical Magazine Volume 87, 2007 - Issue 18-21: Proceedings of Aperiodic, 2006
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Original Articles

Modulated crystal structure of the composite crystal (CaOH)1.14CoO2

M. Isobe1-1, Namiki, Tsukuba, Ibaraki 305-0044, Japan
,
M. Onoda1-1, Namiki, Tsukuba, Ibaraki 305-0044, Japan
,
M. Shizuya1-1, Namiki, Tsukuba, Ibaraki 305-0044, Japan
,
M. Tanaka1-1, Namiki, Tsukuba, Ibaraki 305-0044, Japan
&
E. Takayama-Muromachi1-1, Namiki, Tsukuba, Ibaraki 305-0044, Japan
Pages 2647-2653 | Received 12 Sep 2006, Accepted 31 Oct 2006, Published online: 02 Dec 2010
 
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Abstract

The crystal structure of the new misfit-layer calcium cobaltite (CaOH)1.14CoO2 was determined by means of superspace-group formalism using synchrotron X-ray diffraction data. The compound belongs to the class of incommensurate composite crystals that are isostructural to an orthorhombic form of sulfide, (PbS)1.18TiS2. The structure of the present compound consists of two interpenetrating subsystems: (i) [CoO2]-containing triangular lattices formed by edge-sharing CoO6 octahedra and (ii) [CaOH] double-layered rock-salt-type slabs. The two subsystems have incommensurate periodicity along the a-axis (a1/a2 = 0.576), resulting in a modulated crystal structure due to the inter-subsystem interaction. In this study, it was found that there is a significant structural modulation in the [CaOH] subsystem.

Acknowledgement

We thank Dr Yamamoto of NIMS for helpful advice on the crystal structure analysis and specialization of the analysis program, PREMOS2Ki.

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