Materials Data on MgTi3 by Materials Project

Abstract

MgTi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ti atoms to form MgTi12 cuboctahedra that share corners with twelve equivalent MgTi12 cuboctahedra, edges with twenty-four equivalent TiMg4Ti8 cuboctahedra, faces with six equivalent MgTi12 cuboctahedra, and faces with twelve equivalent TiMg4Ti8 cuboctahedra. All Mg–Ti bond lengths are 2.94 Å. Ti is bonded to four equivalent Mg and eight equivalent Ti atoms to form TiMg4Ti8 cuboctahedra that share corners with twelve equivalent TiMg4Ti8 cuboctahedra, edges with eight equivalent MgTi12 cuboctahedra, edges with sixteen equivalent TiMg4Ti8 cuboctahedra, faces with four equivalent MgTi12 cuboctahedra, and faces with fourteen equivalent TiMg4Ti8 cuboctahedra. All Ti–Ti bond lengths are 2.94 Å.