Materials Data on Mg3Cd by Materials Project

Abstract

Mg3Cd is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Cd atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with four equivalent CdMg12 cuboctahedra, corners with fourteen equivalent MgMg8Cd4 cuboctahedra, edges with six equivalent CdMg12 cuboctahedra, edges with twelve equivalent MgMg8Cd4 cuboctahedra, faces with four equivalent CdMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Cd4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.17 Å. There are two shorter (3.14 Å) and two longer (3.16 Å) Mg–Cd bond lengths. Cd is bonded to twelve equivalent Mg atoms to form CdMg12 cuboctahedra that share corners with six equivalent CdMg12 cuboctahedra, corners with twelve equivalent MgMg8Cd4 cuboctahedra, edges with eighteen equivalent MgMg8Cd4 cuboctahedra, faces with eight equivalent CdMg12 cuboctahedra, and faces with twelve equivalent MgMg8Cd4 cuboctahedra.