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The anion-excess fluorite structure of β-Pb1−xFexF2+x(0.25 ≤ x ≤ 0.27)

Published online by Cambridge University Press:  05 March 2012

A. Le Bail
A. Le Bail*
Affiliation:
Laboratoire des Oxydes et Fluorures, CNRS UMR 6010, Université du Maine, Ave. O. Messiaen, 72085 Le Mans Cedex 9, France
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

The fluorite-related anion-excess β-Pb1−xFexF2+x (0.25 ≤ x ≤ 0.27) orthorhombic crystal structure is approached from powder diffraction data. A 1 × 1 × 2 fluorite supercell is found to describe the main aspects of the structure, which would have ideally the Pb3FeF9 formula (x = 0.25) (space group Cmmm, a = 5.9926(1), b = 5.5781(1), c = 11.5208(3) Å), and would include a complete [FeF4]∝−1 perovskite plane, orthogonal to the c axis. However, there is large Pb substitution (44%) on the perovskite Fe site as well as Fe substitution (∼25%) on one of the two main Pb sites. A strong relationship with the fully ordered crystal structure of Pb8MnFe2F24, which can be expressed as Pb1−xMxF2+2/3x (x = 0.273), is discussed, suggesting that both phases may have infinite [M3F14]∝ ribbons in common.

Keywords

lead iron fluoridefluorite supercellanion excesspowder diffractioncrystal structuredisordercationic substitution
Type
Technical Articles
Information
Powder Diffraction , Volume 26 , Issue 4 , December 2011 , pp. 303 - 307
Copyright
Copyright © Cambridge University Press 2011

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