Materials Data on Na3Ca by Materials Project

Abstract

Na3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Ca atoms to form NaNa8Ca4 cuboctahedra that share corners with twelve equivalent NaNa8Ca4 cuboctahedra, edges with eight equivalent CaNa12 cuboctahedra, edges with sixteen equivalent NaNa8Ca4 cuboctahedra, faces with four equivalent CaNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Ca4 cuboctahedra. All Na–Na bond lengths are 3.79 Å. All Na–Ca bond lengths are 3.79 Å. Ca is bonded to twelve equivalent Na atoms to form CaNa12 cuboctahedra that share corners with twelve equivalent CaNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Ca4 cuboctahedra, faces with six equivalent CaNa12 cuboctahedra, and faces with twelve equivalent NaNa8Ca4 cuboctahedra.