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

Isobe M; Onoda M; Shizuya M; Tanaka M; Takayama-Muromachi E

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

机译：复合晶体（CaOH）（1.14）CoO2的调制晶体结构

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The crystal structure of the new misfit-layer calcium cobaltite (CaOH)(1.14)CoO2 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)(1.18)TiS2. 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 (a(1)/a(2) = 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.

机译：新的失配层钴酸钙（CaOH）（1.14）CoO2的晶体结构是使用同步加速器X射线衍射数据通过超空间基团形式确定的。该化合物属于不对称复合晶体的一类，该晶体与硫的正交晶体形式（PbS）（1.18）TiS2同构。本发明化合物的结构由两个互穿的子系统组成：（i）通过边缘共享CoO6八面体形成的[CoO2]三角晶格和（ii）[CaOH]双层岩盐型平板。这两个子系统沿a轴的周期不相称（a（1）/ a（2）= 0.576），由于子系统间的相互作用，导致了晶体结构的调制。在这项研究中，发现在[CaOH]子系统中存在明显的结构调节。

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《Philosophical magazine: structure and properties of condensed matter》 |2007年第21期|共7页
作者
Isobe M; Onoda M; Shizuya M; Tanaka M; Takayama-Muromachi E;
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正文语种 eng
中图分类物理学;
关键词
BOND-VALENCE PARAMETERS; LAYERED COBALT OXIDE; MISFIT;

机译：结合价参数;分层氧化钴;错配;

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机译：复合晶体（CaOH）（1.14）CoO2的调制晶体结构
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Modulated crystal structure of the composite crystal (CaOH)(1.14)CoO2

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