Materials Data on Eu(DySe2)2 by Materials Project

Abstract

EuDy2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–Se bond distances ranging from 2.81–2.90 Å. In the second Dy3+ site, Dy3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–Se bond distances ranging from 2.84–2.89 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.19–3.44 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the third Se2- site, Se2- is bonded to three equivalent Dy3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Dy3 square pyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Eu2+ atoms.