Materials Data on SrSm3 by Materials Project

Abstract

SrSm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Sm atoms to form SrSm12 cuboctahedra that share corners with four equivalent SrSm12 cuboctahedra, corners with eight equivalent SmSr4Sm8 cuboctahedra, edges with eight equivalent SrSm12 cuboctahedra, edges with sixteen equivalent SmSr4Sm8 cuboctahedra, faces with four equivalent SrSm12 cuboctahedra, and faces with fourteen SmSr4Sm8 cuboctahedra. All Sr–Sm bond lengths are 3.75 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Sr and eight Sm atoms to form SmSr4Sm8 cuboctahedra that share corners with twelve equivalent SmSr4Sm8 cuboctahedra, edges with eight equivalent SrSm12 cuboctahedra, edges with sixteen SmSr4Sm8 cuboctahedra, faces with four equivalent SrSm12 cuboctahedra, and faces with fourteen SmSr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.75 Å. In the second Sm site, Sm is bonded to four equivalent Sr and eight equivalent Sm atoms to form SmSr4Sm8 cuboctahedra that share corners with four equivalent SmSr4Sm8 cuboctahedra, corners with eight equivalent SrSm12 cuboctahedra, edges with twenty-four SmSr4Sm8 cuboctahedra, faces with six equivalent SrSm12 cuboctahedra, and faces with twelve SmSr4Sm8 cuboctahedra.