Materials Data on Dy5(GeSb)2 by Materials Project

Abstract

Dy5(GeSb)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to three equivalent Ge and three equivalent Sb atoms to form distorted DyGe3Sb3 pentagonal pyramids that share corners with three equivalent DyGe4Sb2 octahedra, corners with ten equivalent DyGe3Sb3 pentagonal pyramids, edges with seven equivalent DyGe3Sb3 pentagonal pyramids, faces with two equivalent DyGe4Sb2 octahedra, and faces with two equivalent DyGe3Sb3 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–42°. There are a spread of Dy–Ge bond distances ranging from 2.94–3.09 Å. There are a spread of Dy–Sb bond distances ranging from 3.13–3.19 Å. In the second Dy site, Dy is bonded to four equivalent Ge and two equivalent Sb atoms to form DyGe4Sb2 octahedra that share corners with four equivalent DyGe4Sb2 octahedra, corners with twelve equivalent DyGe3Sb3 pentagonal pyramids, and faces with eight equivalent DyGe3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. There are two shorter (3.06 Å) and two longer (3.08 Å) Dy–Ge bond lengths. Both Dy–Sb bond lengths are 3.10 Å. Ge is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded to seven Dy atoms to form a mixture of distorted edge and corner-sharing SbDy7 pentagonal bipyramids.