Synthesis and crystal structure of CaxCo4Sb12 skutterudites期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Synthesis and crystal structure of Ca_xCo₄Sb₁₂ skutterudites

Authors:	M Puyet B Lenoir P Weisbecker

Institution:	^a Laboratoire de Physique des Matériaux, UMR 7556, Ecole des Mines, Parc de Saurupt, F-54042 Nancy, France ^b Laboratoire de Science et Génie des Matériaux et de Métallurgie, UMR 7584, Ecole des Mines, Parc de Saurupt, F-54042 Nancy, France ^c Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OXI 3QR, UK

Abstract:	New skutterudite compounds Ca_xCo₄Sb₁₂ (0<x?0.2) have been prepared by traditional metallurgical synthesis. The compounds have been characterized by X-ray powder diffraction (XRD), electron probe microanalysis (EPMA) and neutron powder diffraction. Rietveld refinement of the structures against neutron powder diffraction data (on Ca_0.1Co₄Sb₁₂, , a=9.0429 Å, χ²=1.55; wR_p=1.52) enabled the location of Ca in the voids of the skutterudite structure to be verified. The large displacement ellipsoid for Ca is consistent with “rattling” in the cage of the crystalline structure. XRD combined with EPMA analyses showed that the maximum occupancy of Ca atoms is about 0.2.

Keywords:	Skutterudite Neutron diffraction
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