Campus Units
Chemistry, Ames Laboratory
Document Type
Article
Publication Version
Published Version
Publication Date
2003
Journal or Book Title
Inorganic Chemistry
Volume
42
Issue
26
First Page
8762
Last Page
8767
DOI
10.1021/ic030191h
Abstract
The new title compound was synthesized by high-temperature means and its X-ray structure refined in the cubic space group Pm3̄, Z = 3, a = 8.278(1) Å. The structure exhibits a 3-D framework made from a Ga14 and Mg network within which large and small cavities are occupied by centered GaCu12 icosahedral and Cu6 octahedral clusters, respectively. The clusters are well bonded within the network. Electronic structure calculations show that a pseudogap exists just above the Fermi energy, and nearly all pairwise covalent interactions remain bonding over a range of energy above that point. Analysis suggests that the compound is hypoelectronic with a four-electron deficiency per unit cell, and such a derivative with Sc substituting for Mg is an appropriate quasicrystal approximant (Im3̄). Such characteristics seem to be key factors in the formation of icosahedral quasicrystals.
Copyright Owner
American Chemical Society
Copyright Date
2003
Language
en
File Format
application/pdf
Recommended Citation
Lin, Qisheng and Corbett, John D., "A study of the Phase Mg2Cu6Ga5, Isotypic with Mg2Zn11. A Route to an Icosahedral Quasicrystal Approximant" (2003). Chemistry Publications. 956.
https://lib.dr.iastate.edu/chem_pubs/956
Comments
This article is from Inorganic Chemistry 42 (2003): 8762, doi: 10.1021/ic030191h. Posted with permission.