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The Canadian Mineralogist; August 2007; v. 45; no. 4; p. 847-855; DOI: 10.2113/gscanmin.45.4.847
© 2007 Mineralogical Association of Canada
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Articles

THE CRYSTAL STRUCTURE OF Ni9.54Pd7.46S15

Vincent Dubost§, Tonci Balic-Zunic and Emil Makovicky

Geological Institute, University of Copenhagen, Øster Voldgade 10, DK–1350 Copenhagen, Denmark

E-mail address: emilm{at}geol.ku.dk

The crystal structure of the synthetic compound Ni9.54Pd7.46S15 has been solved and refined to an R-factor of 3.3_. It belongs to the space group PmFormulam, with a cell edge a of 9.872 Å. It is isostructural with the published structures of Pd17Se15 and Rh17S15. In the structure of Ni9.54Pd7.46S15, Pd is primarily concentrated in the square coordination sites, whereas nickel is concentrated in the flattened tetrahedral and regular octahedral sites. An interpretation of the structure of Ni9.54Pd7.46S15 in terms of anioncentered polyhedra reveals features common with pentlandite. Despite the mixed character of the cationic sites, this compound does not appear to be an intermediate member of a hypothetical solid-solution Pd17S15 – Ni17S15. The stability of Ni9.54Pd7.46S15 results from the size fit of the two M–S substructures: a palladium-bearing substructure, with metal–metal bonds, and a nickel-bearing substructure. The site partitioning observed in this structure suggests a similar one for the minor elements (Cu and Hg) in natural palladseite. Because of cation coordinations, the structure is believed to be incompatible with a significant incorporation of divalent iron.

Keywords: Ni9.54Pd7.46S15, crystal structure, Rh17S15 structure-type.







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