Chemistry in the polar intermetallic host Zr sub 5 Sb sub 3. Fifteen interstitial compounds

Journal Article · Wed Sep 05 00:00:00 EDT 1990 · Inorganic Chemistry; (USA)

DOI:https://doi.org/10.1021/ic00343a004· OSTI ID:6171087

Garcia, E; Corbett, J D ^[1]

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1. Ames Lab., IA (USA) Iowa State Univ., Ames (USA)

Reactive (powder) sintering, arc-melting, vapor-phase-transport, and metal-flux methods have been explored for the synthesis of single-phase samples of compounds Zr{sub 5}Sb{sub 3}Z, in which an interstitial atom Z is bound in the centers of all zirconium trigonal-antiprismatic sites in the Zr{sub 5}Sb{sub 3} host (Mn{sub 5}Si{sub 3} type). Products of arc-melting are generally the least satisfactory as they are often substitutionally disordered or inhomogeneous and exhibit distinctly smaller lattice constants. Other procedures are described for the preparation of usually single-phase samples with Z = C, O, Al, Si, P, S, CO, Ni, Cu, Zn, Ge, As, Se, Ru, and Ag. The results of the determination of the structure of two metal-flux products by single-crystal x-ray methods are reported. The bonding of Z results primarily in small to moderate expansions of the relatively large zirconium cavity. The results of extended Hueckel band calculations for Zr{sub 5}Sb{sub 3} and Zr{sub 5}Sb{sub 3}S show how zirconium states and electrons are diverted from the broad conduction band to form strong Zr-Z bonds while the robust Zr-Sb and Zr-Zr bonding elsewhere in the structure is virtually unaffected. 45 refs., 6 figs., 6 tabs.

• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 6171087
• Journal Information: Inorganic Chemistry; (USA), Vol. 29:18; ISSN 0020-1669
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ALUMINIUM COMPOUNDS
CRYSTAL STRUCTURE
ANTIMONY COMPLEXES
ARSENIC COMPOUNDS
CARBON COMPOUNDS
COBALT COMPOUNDS
COPPER COMPOUNDS
GERMANIUM COMPOUNDS
NICKEL COMPOUNDS
OXYGEN COMPOUNDS
PHOSPHORUS COMPOUNDS
RUTHENIUM COMPOUNDS
SELENIUM COMPOUNDS
SILICON COMPOUNDS
SILVER COMPOUNDS
SULFUR COMPOUNDS
ZINC COMPOUNDS
ZIRCONIUM COMPLEXES
CHEMICAL PREPARATION
EXPERIMENTAL DATA
MONOCRYSTALS
X-RAY DIFFRACTION
COHERENT SCATTERING
COMPLEXES
CRYSTALS
DATA
DIFFRACTION
INFORMATION
NUMERICAL DATA
REFRACTORY METAL COMPOUNDS
SCATTERING
SYNTHESIS
TRANSITION ELEMENT COMPLEXES
TRANSITION ELEMENT COMPOUNDS
400201* - Chemical & Physicochemical Properties