4.1 Article

The Co2Al9 structure type revisited

Journal

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
Volume 631, Issue 2-3, Pages 534-541

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/zaac.200400418

Keywords

intermetallic compounds; crystal structure; chemical bonding

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The centrosymmetric structure Of Co2Al9 (space group P2(1)/c, Pearson symbol mP22), the isotypic structures of Rh2Al9 and Ir2Al9 and the slightly distorted acentric structures of Rh2Ga9 and Ir2Ga9 (space group Pc) were reinvestigated from single crystal X-ray diffraction data. The structure of Rh2Ga9 represents a new structure type. The difference between the aluminides and the gallides originates in the details of atomic interactions investigated by the electron localization function and band structure calculations.

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