Materials Data on Eu(ErS2)2 by Materials Project

Abstract

Eu(ErS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent S2- atoms to form distorted ErS8 hexagonal bipyramids that share corners with four equivalent ErS8 hexagonal bipyramids, corners with four equivalent EuS8 hexagonal bipyramids, edges with four equivalent ErS8 hexagonal bipyramids, faces with four equivalent ErS8 hexagonal bipyramids, and faces with four equivalent EuS8 hexagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.73–3.05 Å. Eu2+ is bonded to eight equivalent S2- atoms to form distorted EuS8 hexagonal bipyramids that share corners with eight equivalent ErS8 hexagonal bipyramids, edges with four equivalent EuS8 hexagonal bipyramids, and faces with eight equivalent ErS8 hexagonal bipyramids. There are four shorter (2.88 Å) and four longer (3.05 Å) Eu–S bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Er3+ and two equivalent Eu2+ atoms.