Bonding in the BaPdSn 3 Structure

Jing Li, Roald Hoffmann

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The body-centered BaPdSn 3 structure contains Sn atoms in tetrahedral and square-pyramidal five-coordinate sites, and Pd in square-pyramidal environments. The PdSn 3 2- three-dimensional lattice can be formally decomposed into first two-dimensional layers. then into a square Sn lattice with capping Sn and Pd atoms. This geometrical decomposition also serves as a construction principle for building up the electronic structure of this material. Many similarities to BaAl 4 emerge. There is electron deficient multicenter bonding in the layer, normal two-center bonding Sn —Pd between layers. Pd 4d orbitals do not contribute significantly to the bonding.

Original languageEnglish
Pages (from-to)1399-1415
Number of pages17
JournalZeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
Volume41
Issue number11
DOIs
Publication statusPublished - Nov 1 1986

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Atoms
Electronic structure
Decomposition
Electrons

Keywords

  • Bonding in the BaPdSn
  • Structure

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Bonding in the BaPdSn 3 Structure . / Li, Jing; Hoffmann, Roald.

In: Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, Vol. 41, No. 11, 01.11.1986, p. 1399-1415.

Research output: Contribution to journalArticle

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