Hydrogen in polar intermetallics: Syntheses and structures of the ternary Ca{sub 5}Bi{sub 3}D{sub 0.93}, Yb{sub 5}Bi{sub 3}H{sub x}, and Sm{sub 5}Bi{sub 3}H{sub a}pprox{sub 1} by powder neutron or single crystal X-ray diffraction

Journal Article · Fri Jan 15 04:00:00 EST 2010 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2009.10.024· OSTI ID:21372456

Alejandro Leon-Escamilla, E ^[1]; Dervenagas, Panagiotis; Stassis, Constantine ^[2]

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1. Department of Chemistry and Ames Laboratory-DOE, Iowa State University, Ames, IA 50011 (United States)
2. Department of Physics and Ames Laboratory-DOE, Iowa State University, Ames, IA 50011 (United States)

The syntheses of the title compounds are described in detail. Structural characterizations from refinements of single crystal X-ray diffraction data for Yb{sub 5}Bi{sub 3}H{sub x} and Sm{sub 5}Bi{sub 3}H{sub a}pprox{sub 1} and of powder neutron diffraction data for Ca{sub 5}Bi{sub 3}D{sub 0.93(3)} are reported. These confirm that all three crystallize with the heavy atom structure type of beta-Yb{sub 5}Sb{sub 3}, and the third gives the first proof that the deuterium lies in the center of nominal calcium tetrahedra, isostructural with the Ca{sub 5}Sb{sub 3}F-type structure. These Ca and Yb phases are particularly stable with respect to dissociation to Mn{sub 5}Si{sub 3}-type product plus H{sub 2}. Some contradictions in the literature regarding Yb{sub 5}Sb{sub 3} and Yb{sub 5}Sb{sub 3}H{sub x} phases are considered in terms of adventitious hydrogen impurities that are generated during reactions in fused silica containers at elevated temperatures. - Graphical abstract: The structure of Ca{sub 5}Bi{sub 3}H{sub 0.93} occurs in the novel Ca{sub 5}Sb{sub 3}F structure type with D centered in the shaded calcium tetrahedra.

• OSTI ID: 21372456
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 1 Vol. 183; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALKALINE EARTH METAL COMPOUNDS
ALLOYS
BISMUTH COMPOUNDS
CALCIUM COMPOUNDS
COHERENT SCATTERING
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
CRYSTALS
DEUTERIDES
DEUTERIUM COMPOUNDS
DIFFRACTION
DISSOCIATION
ELEMENTS
HYDRIDES
HYDROGEN
HYDROGEN COMPOUNDS
INTERMETALLIC COMPOUNDS
INTERSTITIALS
MINERALS
MONOCRYSTALS
NEUTRON DIFFRACTION
NONMETALS
OXIDE MINERALS
POINT DEFECTS
RARE EARTH COMPOUNDS
SAMARIUM COMPOUNDS
SCATTERING
SILICA
SYNTHESIS
X-RAY DIFFRACTION
YTTERBIUM COMPOUNDS