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Distorted chiolite crystal structures of α-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction

Published online by Cambridge University Press:  06 March 2012

A. Le Bail  and
A.-M. Mercier
A. Le Bail*
Affiliation:
Laboratoire des Fluorures, CNRS UMR 6010, Université du Maine, Avenue O. Messiaen, 72085 Le Mans Cedex 9, France
A.-M. Mercier
Affiliation:
Laboratoire des Fluorures, CNRS UMR 6010, Université du Maine, Avenue O. Messiaen, 72085 Le Mans Cedex 9, France
*
a)Author to whom correspondence should be addressed. Electronic mail: alb@crystal.org
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Abstract

The crystal structures of the chiolite-related room temperature phases α-Na5M3F14 (MIII=Cr,Fe,Ga) are determined. For all of them, the space group is P21/n, Z=2; a=10.5096(3) Å, b=7.2253(2) Å, c=7.2713(2) Å, β=90.6753(7)° (M=Cr); a=10.4342(7) Å, b=7.3418(6) Å, c=7.4023(6) Å, β=90.799(5)° (M=Fe), and a=10.4052(1) Å, b=7.2251(1) Å, c=7.2689(1), β=90.6640(4)° (M=Ga). Rietveld refinements produce final RF factors 0.036, 0.033, and 0.035, and RWP factors, 0.125, 0.116, and 0.096, for MIII=Cr, Fe, and Ga, respectively. The MF6 polyhedra in the defective isolated perovskite-like layers deviate very few from perfect octahedra. Subtle octahedra tiltings lead to the symmetry decrease from the P4/mnc space group adopted by the Na5Al3F14 chiolite aristotype to the P21/n space group adopted by the title series. Facile twinning precluded till now the precise characterization of these compounds.

Keywords

chiolitesodium fluoridepowder diffractionstructure determination

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Type
Technical Articles
Information
Powder Diffraction , Volume 18 , Issue 2 , June 2003 , pp. 128 - 134
Copyright
Copyright © Cambridge University Press 2005

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