Synthesis and characterization of zirconium-antimony binary and interstitial ternary intermetallic compounds

Technical Report · Sat Aug 01 00:00:00 EDT 1987

OSTI ID:6339954

Garcia, E

A family of Zr/sub 5/Sb/sub 3/Z compounds (Z = C, O, Al, Si, P, S, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se) have been synthesized in the Mn/sub 5/Si/sub 3/ structure. Structural refinements were carried out for the compounds Zr/sub 5/Sb/sub 3/Al, Zr/sub 5/Sb/sub 3/Si, Zr/sub 5/Sb/sub 3/S, Zr/sub 5/Sb/sub 3/Fe, Zr/sub 5/Sb/sub 3/(Fe/sub 2/3/In/sub 1/3/). Extended-Hueckel band calculations were carried out on Zr/sub 5/Sb/sub 3/, Zr/sub 5/Sb/sub 3/S, and Zr/sub 5/Sb/sub 3/Fe. A high density of states at the Fermi energy, low lying and strongly bonding ZrSb states in the Zr/sub 5/Sb/sub 3/ host, and the strong bonding interactions between Zr and the interstitial element, combine to permit the extensive interstitial chemistry observed. The Zr-Sb binary system was reinvestigated. Five new phases were identified: Zr/sub 5/Sb/sub 3/ (Y/sub 5/Bi/sub 3/-type), ZrSb/sub 1-x/ (FeSi-type), ZrSb (ZrSb-type), ZrSb/sub 2/ (PbCl/sub 2/-type), and Zr/sub 2/Sb/sub 3/. The structure type of an additional compound was elucidated, Zr/sub 2/Sb (La/sub 2/Sb-type). The unique structure type for ZrSb was determined by a single crystal x-ray diffraction experiment, and structural refinements were also carried out for Zr/sub 5/Sb/sub 3/ (Y/sub 5/Bi/sub 3/ and Mn/sub 5/Si/sub 3/) and ZrSb/sub 2/ (PbCl/sub 2/). Extended-Hueckel band calculations were carried out on the two ZrSb/sub 2/ structural polymorphs, PbCl/sub 2/ and ZrSb/sub 2/ types.

• Research Organization: Ames Lab., IA (USA)
• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 6339954
• Report Number(s): IS-T-1298; ON: DE87013608
• Resource Relation: Other Information: Thesis. Portions of this document are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ANTIMONY ALLOYS
CRYSTAL STRUCTURE
ANTIMONY COMPOUNDS
ZIRCONIUM ALLOYS
ZIRCONIUM COMPOUNDS
BINARY ALLOY SYSTEMS
INTERSTITIALS
MAGNETIC SUSCEPTIBILITY
PHASE STUDIES
PHOTOELECTRON SPECTROSCOPY
TERNARY ALLOY SYSTEMS
X-RAY DIFFRACTION
ALLOY SYSTEMS
ALLOYS
COHERENT SCATTERING
CRYSTAL DEFECTS
DIFFRACTION
ELECTRON SPECTROSCOPY
MAGNETIC PROPERTIES
PHYSICAL PROPERTIES
PNICTIDES
POINT DEFECTS
SCATTERING
SPECTROSCOPY
TRANSITION ELEMENT COMPOUNDS
360102* - Metals & Alloys- Structure & Phase Studies
360602 - Other Materials- Structure & Phase Studies