Ce4(Pi-xSix)3-z: A first example for the stabilization of the anti-Th3P4 type structure by substitution in the non-metal substructure

Pavel S. Chizhov, Nellie R. Khasanova, Michael Baitinger, Walter Schnelle, Yuri Prots, Ulrich Burkhardt, Evgeny V. Antipov, Yuri Grin

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3 Citations (Scopus)

Abstract

A first rare-earth phosphide suicide Ce4(P1-xSi x)3-z and its analogues with La, Pr, and Nd were synthesized and characterized. The compounds crystallize in the anti-Th 3P4 structure type. The cerium compound shows a mixed occupation of the 12a site with Si and P and possesses a wide homogeneity range with respect to x and z variation. The electronic configuration of Ce, deduced from magnetic susceptibility and X-ray absorption spectroscopy data, remains 4f1 (Ce3-) independently from x and z. The cerium valence and the phase stability region are discussed employing electronic band-structure calculation and chemical bonding analysis with electron localization function. Atomic interactions are shown to remain nearly unchanged, while the change of the excess electron concentration with P/Si substitution is considered to play the main role for the stabilization of the structural motif.

Original languageEnglish
Pages (from-to)7210-7216
Number of pages7
JournalInorganic Chemistry
Volume45
Issue number18
DOIs
Publication statusPublished - 4 Sep 2006
Externally publishedYes

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