BaCu10P4: A New Structure Composed of Chains of Edge-Shared Cu4m Tetrahedra

Dianna M. Young, John Charlton, Marilyn M. Olmstead, Susan M. Kauzlarich, Chi Shen Lee, Gordon J. Miller

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11 Scopus citations

Abstract

A new barium copper phosphide compound, BaCu10P4, was synthesized by reacting stoichiometric amounts of the elements at 1200 °C for 24 h. BaCu10P4 crystallizes in the monoclinic space group C2/m, with unit cell dimensions a = 23.288(4) b = 3.9070(10), and c = 9.534(2) Å and β= 92.26(2)° (Z = 4). The structure can be described as consisting of chains of edge-shared Cu4 tetrahedral prisms that are knitted together by P atoms. The structure is related to BaCu8P4 which can be described in a similar fashion. Temperature-dependent resistivity measurements indicate that BaCu10P4 is a metal. Extended Hückel band calculations are consistent with metallic character for BaCu10P4 through Cu-Cu interactions. Orbitals at the Fermi level show Cu-Cu bonding overlap. On the other hand, BaCu8P4 reveals extremely weak Cu-Cu interactions, but rather optimizes Cu-P bonding.

Original languageEnglish (US)
Pages (from-to)2539-2543
Number of pages5
JournalInorganic Chemistry
Volume36
Issue number12
StatePublished - 1997

ASJC Scopus subject areas

  • Inorganic Chemistry

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