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A. Vegas, D. Santamariá-Pérez

The structures of ZrNCl, TiOCl and AlOCl in the light of the Zintl-Klemm concept

The structures of ZrNCl on one hand and TiOCl and AlOCl on the other hand are analysed in comparison with the Zintl phases Ca[Al₂Si₂] and Na[AlSi], respectively. In the former, the [ZrN]⁺ sublattice is isostructural to the [Al₂Si₂]^2– skeleton whereas the latter are orthorhombic distortions of the Na[AlSi] structure. The three structures can be rationalised by means of an inverse Zintl-Klemm concept, in similarity with the Zintl-Klemm concept which accounts for the structures of the Zintl phases. In addition, Ca[Al₂Si₂] presents the same structure than the hexacelsian oxide Ca[Al₂Si₂O₈] providing a new example of how the cation arrays, in oxides, maintain the structure of their respective alloy.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 218, 07/2003
Pages: 466

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