Materials Data on Na3Sm by Materials Project

Abstract

Na3Sm is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Sm atoms to form NaNa8Sm4 cuboctahedra that share corners with twelve equivalent NaNa8Sm4 cuboctahedra, edges with eight equivalent NaNa8Sm4 cuboctahedra, edges with eight equivalent SmNa12 cuboctahedra, faces with four equivalent SmNa12 cuboctahedra, and faces with ten equivalent NaNa8Sm4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.73 Å) Na–Na bond lengths. All Na–Sm bond lengths are 3.73 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to eight equivalent Na and four equivalent Sm atoms. All Na–Sm bond lengths are 3.52 Å. Sm is bonded to twelve Na atoms to form SmNa12 cuboctahedra that share corners with four equivalent SmNa12 cuboctahedra, edges with eight equivalent SmNa12 cuboctahedra, edges with sixteen equivalent NaNa8Sm4 cuboctahedra, faces with four equivalent SmNa12 cuboctahedra, and faces with eight equivalent NaNa8Sm4 cuboctahedra.