Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

2005

Journal or Book Title

Inorganic Chemistry

Volume

44

Issue

3

First Page

512

Last Page

518

DOI

10.1021/ic040075u

Abstract

Single-crystal X-ray structural determinations for the Mg35.12(4)Cu24Ga53.58(6) and Mg35.6(4)Cu24Ga52.66(6) refined compositions (Fdm, Z = 4) reveal empty (Cu,Ga)12 icosahedra and centered MgGa16 icosioctahedra that are interconnected at every vertex to a compact three-dimensional anion network. A small range of variable occupancy exists on one of three Ga and one of four Mg positions. The clusters are well-bonded and held in different sized cavities, in which they are also directly bonded to a Mg cation network. The two networks thus interpenetrate each other, and there are no spacers. The new phase is isostructural with K39In80, K17In41, and the electron-poorer Na35Cd24Ga56, all of which contain clathrate-II-type cation frameworks. Electron counting using the classic (MO-based) cluster assignments indicates that the refined structure is substantially ideal and closed-shell. The symmetry of the present structure does not suggest a ready conversion to an icosahedral quasicrystal or its approximants.

Comments

This is an article from Inorganic Chemistry 44 (2005): 512, doi: 10.1021/ic040075u. Posted with permission.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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