Materials Data on Sm2Fe3Ru by Materials Project

Abstract

Sm2RuFe3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to three equivalent Ru and nine equivalent Fe atoms. All Sm–Ru bond lengths are 3.07 Å. There are six shorter (3.09 Å) and three longer (3.13 Å) Sm–Fe bond lengths. Ru is bonded to six equivalent Sm and six equivalent Fe atoms to form RuSm6Fe6 cuboctahedra that share corners with six equivalent RuSm6Fe6 cuboctahedra, corners with twelve equivalent FeSm6Fe4Ru2 cuboctahedra, edges with six equivalent RuSm6Fe6 cuboctahedra, and faces with eighteen equivalent FeSm6Fe4Ru2 cuboctahedra. All Ru–Fe bond lengths are 2.67 Å. Fe is bonded to six equivalent Sm, two equivalent Ru, and four equivalent Fe atoms to form FeSm6Fe4Ru2 cuboctahedra that share corners with four equivalent RuSm6Fe6 cuboctahedra, corners with fourteen equivalent FeSm6Fe4Ru2 cuboctahedra, edges with six equivalent FeSm6Fe4Ru2 cuboctahedra, faces with six equivalent RuSm6Fe6 cuboctahedra, and faces with twelve equivalent FeSm6Fe4Ru2 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å.