Materials Data on CaMg3 by Materials Project

Abstract

Mg3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Mg atoms to form CaMg12 cuboctahedra that share corners with twelve equivalent CaMg12 cuboctahedra, edges with twenty-four equivalent MgCa4Mg8 cuboctahedra, faces with six equivalent CaMg12 cuboctahedra, and faces with twelve equivalent MgCa4Mg8 cuboctahedra. All Ca–Mg bond lengths are 3.37 Å. Mg is bonded to four equivalent Ca and eight equivalent Mg atoms to form MgCa4Mg8 cuboctahedra that share corners with twelve equivalent MgCa4Mg8 cuboctahedra, edges with eight equivalent CaMg12 cuboctahedra, edges with sixteen equivalent MgCa4Mg8 cuboctahedra, faces with four equivalent CaMg12 cuboctahedra, and faces with fourteen equivalent MgCa4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.37 Å.