Title
Refinement of the structure of anatase at several temperatures
Date Issued
01 November 1972
Access level
open access
Resource Type
journal article
Author(s)
Department of Physics
Abstract
The crystal structure of anatase was refined at several temperatures between 25 °C and 800 °C using single-crystal x-ray diffraction data. The only structural parameter, the z coordinate of oxygen, changes regularly from 0.2081(2) at 25 °C to 0.2076(3) at 800 °C.This change is about an order of magnitude smaller than that proposed by Horn and Schwerdtfeger (1971) to explain the temperature dependence of electron paramagnetic resonance spectra of anatase. The thermal vibrations of the titanium ions are isotropic, those of the oxygen ions highly anisotropic. That these thermal displacements may produce appreciable corrections to the bond-length calculations is discussed. © 1972, Walter de Gruyter. All rights reserved.
Start page
273
End page
281
Volume
136
Issue
April 3
Language
English
OCDE Knowledge area
Física atómica, molecular y química
Química orgánica
Scopus EID
2-s2.0-84940662796
Source
Zeitschrift fur Kristallographie - New Crystal Structures
ISSN of the container
14337266
Sources of information:
Directorio de Producción Científica
Scopus