Materials Data on MgTi by Materials Project

Abstract

MgTi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Ti atoms to form MgMg4Ti8 cuboctahedra that share corners with six equivalent MgMg4Ti8 cuboctahedra, corners with twelve equivalent TiMg8Ti4 cuboctahedra, edges with six equivalent TiMg8Ti4 cuboctahedra, edges with twelve equivalent MgMg4Ti8 cuboctahedra, faces with ten equivalent MgMg4Ti8 cuboctahedra, and faces with ten equivalent TiMg8Ti4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.03 Å) Mg–Mg bond lengths. There are a spread of Mg–Ti bond distances ranging from 3.01–3.04 Å. Ti is bonded to eight equivalent Mg and four equivalent Ti atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent TiMg8Ti4 cuboctahedra, corners with twelve equivalent MgMg4Ti8 cuboctahedra, edges with six equivalent MgMg4Ti8 cuboctahedra, edges with twelve equivalent TiMg8Ti4 cuboctahedra, faces with ten equivalent MgMg4Ti8 cuboctahedra, and faces with ten equivalent TiMg8Ti4 cuboctahedra. There are two shorter (3.02 Å) and two longer (3.03 Å) Ti–Ti bond lengths.