Chemistry, Ames Laboratory
Journal or Book Title
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.
American Chemical Society
Lin, Qisheng and Corbett, John D., "Ca4Au10In3: Synthesis, Structure, and Bonding Analysis. The Chemical and Electronic Transformations of the Isotypic Zr7Ni10 Intermetallic" (2007). Chemistry Publications. 962.