Hydrogen in polar intermetallics: Syntheses and structures of the ternary Ca5Bi3D0.93, Yb5Bi3Hx, and Sm5Bi3H similar to 1 by powder neutron or single crystal X-ray diffraction

TitleHydrogen in polar intermetallics: Syntheses and structures of the ternary Ca5Bi3D0.93, Yb5Bi3Hx, and Sm5Bi3H similar to 1 by powder neutron or single crystal X-ray diffraction
Publication TypeJournal Article
Year of Publication2010
AuthorsLeon-Escamilla EA, Dervenagas P, Stassis C, Corbett JD
Journal TitleJournal of Solid State Chemistry
Volume183
Pages114-119
Date Published01/01
ISBN Number0022-4596
Accession NumberISI:000273834600016
Keywordsba, binary, ca, cr5b3-like structures, diffraction, eu, HYDRIDE, impurities, interstitial atoms, mn5si3-type, phases, pnictides, sr
Abstract

The syntheses of the title compounds are described in detail. Structural characterizations from refinements of single crystal X-ray diffraction data for Yb5Bi3Hx and Sm5Bi3H similar to 1 and of powder neutron diffraction data for Ca5Bi3D0.93(3) are reported. These confirm that all three crystallize with the heavy atom structure type of beta-Yb5Sb3, and the third gives the first proof that the deuterium lies in the center of nominal calcium tetrahedra, isostructural with the Ca5Sb3F-type structure. These Ca and Yb phases are particularly stable with respect to dissociation to Mn5Si3-type product plus H-2. Some contradictions in the literature regarding Yb5Sb3 and Yb5Sb3Hx phases are considered in terms of adventitious hydrogen impurities that are generated during reactions in fused silica containers at elevated temperatures. (C) 2009 Elsevier Inc. All rights reserved.

URL<Go to ISI>://000273834600016
DOIDoi 10.1016/J.Jssc.2009.10.024