Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

2007

Journal or Book Title

Inorganic Chemistry

Volume

46

Issue

21

First Page

8722

Last Page

8727

DOI

10.1021/ic700995e

Abstract

The title compound, Ca4Au10In3 (e/a = 1.59), was synthesized by conventional high-temperature solid-state reactions and structurally analyzed by single-crystal X-ray diffraction:  space group Cmca, a = 13.729(4) Å, b = 10.050(3) Å, c = 10.160(3) Å, Z = 4. The structure, isotypic with that of Zr7Ni10, features a novel three-dimensional [Au10In3] polyanionic framework built from sinusoidal Au layers that are interconnected by significant Au−Au and Au−In interactions. A prominent electronic feature is the presence of a pseudogap and empty bonding states above the Fermi level according to LMTO calculations, reminiscent of the tunable electronic properties discovered for Mg2Zn11-type phases. The natures of the chemical and electronic redistributions from Zr7Ni10 to Ca4Au10In3 are considered. The Au backbone appears to be particularly important.

Comments

This is an article from Inorganic Chemistry 46 (2007): 8722, doi: 10.1021/ic700995e. Posted with permission.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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