Materials Data on Ga3Si by Materials Project

Abstract

Ga3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ga is bonded to eight equivalent Ga and four equivalent Si atoms to form GaGa8Si4 cuboctahedra that share corners with four equivalent SiGa12 cuboctahedra, corners with fourteen equivalent GaGa8Si4 cuboctahedra, edges with six equivalent SiGa12 cuboctahedra, edges with twelve equivalent GaGa8Si4 cuboctahedra, faces with four equivalent SiGa12 cuboctahedra, and faces with sixteen equivalent GaGa8Si4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.92–3.04 Å. There are two shorter (2.90 Å) and two longer (3.00 Å) Ga–Si bond lengths. Si is bonded to twelve equivalent Ga atoms to form SiGa12 cuboctahedra that share corners with six equivalent SiGa12 cuboctahedra, corners with twelve equivalent GaGa8Si4 cuboctahedra, edges with eighteen equivalent GaGa8Si4 cuboctahedra, faces with eight equivalent SiGa12 cuboctahedra, and faces with twelve equivalent GaGa8Si4 cuboctahedra.