Materials Data on Sm3Cr by Materials Project

Abstract

Sm3Cr is Uranium Silicide-like 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 Cr atoms to form distorted SmSm8Cr4 cuboctahedra that share corners with twelve equivalent SmSm8Cr4 cuboctahedra, edges with eight equivalent CrSm12 cuboctahedra, edges with sixteen SmSm8Cr4 cuboctahedra, faces with four equivalent CrSm12 cuboctahedra, and faces with fourteen SmSm8Cr4 cuboctahedra. There are four shorter (3.41 Å) and four longer (3.46 Å) Sm–Sm bond lengths. All Sm–Cr bond lengths are 3.46 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Cr atoms to form distorted SmSm8Cr4 cuboctahedra that share corners with four equivalent SmSm8Cr4 cuboctahedra, corners with eight equivalent CrSm12 cuboctahedra, edges with twenty-four SmSm8Cr4 cuboctahedra, faces with six equivalent CrSm12 cuboctahedra, and faces with twelve SmSm8Cr4 cuboctahedra. All Sm–Cr bond lengths are 3.41 Å. Cr is bonded to twelve Sm atoms to form CrSm12 cuboctahedra that share corners with four equivalent CrSm12 cuboctahedra, corners with eight equivalent SmSm8Cr4 cuboctahedra, edges with eight equivalent CrSm12 cuboctahedra, edges with sixteen equivalent SmSm8Cr4 cuboctahedra, faces with four equivalent CrSm12 cuboctahedra, and faces with fourteen SmSm8Cr4 cuboctahedra.