Materials Data on Eu3DySb3 by Materials Project

Abstract

DyEu3Sb3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Dy3+ is bonded to six Sb3- atoms to form distorted DySb6 octahedra that share corners with two equivalent DySb6 octahedra, corners with thirteen EuSb6 octahedra, edges with two equivalent DySb6 octahedra, edges with four EuSb6 octahedra, and faces with five EuSb6 octahedra. The corner-sharing octahedra tilt angles range from 16–51°. There are a spread of Dy–Sb bond distances ranging from 3.11–3.46 Å. There are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six Sb3- atoms to form distorted EuSb6 octahedra that share corners with three equivalent DySb6 octahedra, corners with twelve EuSb6 octahedra, edges with six EuSb6 octahedra, faces with two EuSb6 octahedra, and faces with three equivalent DySb6 octahedra. The corner-sharing octahedra tilt angles range from 16–52°. There are a spread of Eu–Sb bond distances ranging from 3.20–3.48 Å. In the second Eu2+ site, Eu2+ is bonded to six Sb3- atoms to form distorted EuSb6 octahedra that share corners with five equivalent DySb6 octahedra, corners with ten EuSb6 octahedra, edges with two equivalent DySb6 octahedra, edges with four EuSb6 octahedra, a faceface with one DySb6 octahedra, and faces with four EuSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–52°. There are a spread of Eu–Sb bond distances ranging from 3.22–3.51 Å. In the third Eu2+ site, Eu2+ is bonded to six Sb3- atoms to form distorted EuSb6 octahedra that share corners with five equivalent DySb6 octahedra, corners with ten EuSb6 octahedra, edges with two equivalent DySb6 octahedra, edges with four EuSb6 octahedra, a faceface with one DySb6 octahedra, and faces with four EuSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–51°. There are a spread of Eu–Sb bond distances ranging from 3.21–3.52 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to two equivalent Dy3+ and six Eu2+ atoms. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to two equivalent Dy3+ and six Eu2+ atoms. In the third Sb3- site, Sb3- is bonded to two equivalent Dy3+ and six Eu2+ atoms to form a mixture of distorted corner and face-sharing SbEu6Dy2 hexagonal bipyramids.