Materials Data on NaSr3 by Materials Project

Abstract

NaSr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Sr atoms to form NaSr12 cuboctahedra that share corners with six equivalent NaSr12 cuboctahedra, corners with twelve equivalent SrNa4Sr8 cuboctahedra, edges with eighteen equivalent SrNa4Sr8 cuboctahedra, faces with eight equivalent NaSr12 cuboctahedra, and faces with twelve equivalent SrNa4Sr8 cuboctahedra. All Na–Sr bond lengths are 4.16 Å. Sr is bonded to four equivalent Na and eight equivalent Sr atoms to form SrNa4Sr8 cuboctahedra that share corners with four equivalent NaSr12 cuboctahedra, corners with fourteen equivalent SrNa4Sr8 cuboctahedra, edges with six equivalent NaSr12 cuboctahedra, edges with twelve equivalent SrNa4Sr8 cuboctahedra, faces with four equivalent NaSr12 cuboctahedra, and faces with sixteen equivalent SrNa4Sr8 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 4.15–4.18 Å.