Materials Data on PrSm3 by Materials Project

Abstract

Sm3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen SmPr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.64 Å. All Sm–Pr bond lengths are 3.64 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with four equivalent SmPr4Sm8 cuboctahedra, corners with eight equivalent PrSm12 cuboctahedra, edges with twenty-four SmPr4Sm8 cuboctahedra, faces with six equivalent PrSm12 cuboctahedra, and faces with twelve SmPr4Sm8 cuboctahedra. All Sm–Pr bond lengths are 3.64 Å. Pr is bonded to twelve Sm atoms to form PrSm12 cuboctahedra that share corners with four equivalent PrSm12 cuboctahedra, corners with eight equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen equivalent SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen SmPr4Sm8 cuboctahedra.