Materials Data on NaMg by Materials Project

Abstract

NaMg is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Na is bonded to four equivalent Na and eight equivalent Mg atoms to form NaNa4Mg8 cuboctahedra that share corners with eight equivalent MgNa8Mg4 cuboctahedra, corners with ten equivalent NaNa4Mg8 cuboctahedra, edges with six equivalent NaNa4Mg8 cuboctahedra, edges with twelve equivalent MgNa8Mg4 cuboctahedra, faces with eight equivalent MgNa8Mg4 cuboctahedra, and faces with twelve equivalent NaNa4Mg8 cuboctahedra. There are two shorter (3.29 Å) and two longer (3.34 Å) Na–Na bond lengths. There are a spread of Na–Mg bond distances ranging from 3.42–3.60 Å. Mg is bonded to eight equivalent Na and four equivalent Mg atoms to form MgNa8Mg4 cuboctahedra that share corners with eight equivalent NaNa4Mg8 cuboctahedra, corners with ten equivalent MgNa8Mg4 cuboctahedra, edges with six equivalent MgNa8Mg4 cuboctahedra, edges with twelve equivalent NaNa4Mg8 cuboctahedra, faces with eight equivalent NaNa4Mg8 cuboctahedra, and faces with twelve equivalent MgNa8Mg4 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.29 Å) Mg–Mg bond lengths.