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Title Crystal structure and equation of state of cotunnite-type zirconia
Creator/Author Haines, J. ; Leger, J.M. ; Atouf, A. [C.N.R.S., Meudon (France). Lab. de Physico-Chimie des Materiaux]
Publication Date1995 Feb 01
OSTI IdentifierOSTI ID: 79814
Other Number(s)JACTAW; ISSN 0002-7820
Resource TypeJournal Article
Resource RelationJournal of the American Ceramic Society ; VOL. 78 ; ISSUE: 2 ; PBD: Feb 1995
Subject36 MATERIALS SCIENCE ; ZIRCONIUM OXIDES; CRYSTAL STRUCTURE; EQUATIONS OF STATE; X-RAY DIFFRACTION; POWDERS; LASERS; PRESSURE DEPENDENCE; TEMPERATURE DEPENDENCE; COMPRESSIBILITY
Description/Abstract Cotunnite-type zirconia was studied by angular-dispersive X-ray diffraction in a diamond anvil cell after laser heating and 18 and 26.7 GPa. The structure, space group Pnam, Z= 4, was refined in situ at several different pressures on decompression and at ambient using the Rietveld method. The nine polyhedral Zr-O distances range from 2.10 to 2.56{angstrom} at ambient pressure, which represents both an increase in the average and the minimum Zr-O distance relative to the monoclinic and orthorhombic lower-pressure forms. In addition, data obtained on an unheated sample indicate that the irreversible transition to the cotunnite phase began above 25 GPa and 70% conversion was achieved by 48.5 GPa. The compressibility of cotunnite-type zirconia was found to be slightly anisotropic and a Birch-Murnaghan equation-of-state fit of the p-V data yielded a bulk modulus of 332(8) GPa with a first derivative of 2.3(4), which is in good agreement with the value predicted by previous ab initio calculations.
Country of PublicationUnited States
LanguageEnglish
Formatpp. 445-448 ; PL:
System Entry Date2001 May 03

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