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Mg35Cu24Ga53: A Three-Dimensional Cubic Network Composed of Interconnected Cu6Ga6 Icosahedra, Mg-Centered Ga16 Icosioctahedra, and a Magnesium Lattice
Inorganic Chemistry
  • Qisheng Lin, The Ames Laboratory
  • John D. Corbett, Iowa State University
Document Type
Article
Publication Version
Published Version
Publication Date
1-1-2005
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
Citation Information
Qisheng Lin and John D. Corbett. "Mg35Cu24Ga53: A Three-Dimensional Cubic Network Composed of Interconnected Cu6Ga6 Icosahedra, Mg-Centered Ga16 Icosioctahedra, and a Magnesium Lattice" Inorganic Chemistry Vol. 44 Iss. 3 (2005) p. 512 - 518
Available at: http://works.bepress.com/qisheng-lin/28/