Materials Data on Sm2EuSe4 by Materials Project

Abstract

EuSm2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Eu2+ is bonded to eight equivalent Se2- atoms to form distorted EuSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent EuSe8 hexagonal bipyramids, and faces with eight equivalent SmSe8 hexagonal bipyramids. There are four shorter (3.05 Å) and four longer (3.20 Å) Eu–Se bond lengths. Sm3+ is bonded to eight equivalent Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with four equivalent EuSe8 hexagonal bipyramids, corners with four equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonal bipyramids, faces with four equivalent EuSe8 hexagonal bipyramids, and faces with four equivalent SmSe8 hexagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.96–3.19 Å. Se2- is bonded to two equivalent Eu2+ and four equivalent Sm3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeSm4Eu2 octahedra. The corner-sharing octahedra tilt angles range from 16–51°.