Materials Data on MgU by Materials Project

Abstract

MgU crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent U atoms to form distorted MgMg4U8 cuboctahedra that share corners with eight equivalent UMg8U4 cuboctahedra, corners with ten equivalent MgMg4U8 cuboctahedra, edges with six equivalent MgMg4U8 cuboctahedra, edges with twelve equivalent UMg8U4 cuboctahedra, faces with eight equivalent UMg8U4 cuboctahedra, and faces with twelve equivalent MgMg4U8 cuboctahedra. There are two shorter (2.80 Å) and two longer (2.81 Å) Mg–Mg bond lengths. There are a spread of Mg–U bond distances ranging from 3.24–3.56 Å. U is bonded to eight equivalent Mg and four equivalent U atoms to form distorted UMg8U4 cuboctahedra that share corners with eight equivalent MgMg4U8 cuboctahedra, corners with ten equivalent UMg8U4 cuboctahedra, edges with six equivalent UMg8U4 cuboctahedra, edges with twelve equivalent MgMg4U8 cuboctahedra, faces with eight equivalent MgMg4U8 cuboctahedra, and faces with twelve equivalent UMg8U4 cuboctahedra. There are two shorter (2.65 Å) and two longer (2.80 Å) U–U bond lengths.