Materials Data on Eu2SnSe5 by Materials Project

Abstract

Eu2SnSe5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.00–3.46 Å. Sn4+ is bonded to six Se2- atoms to form edge-sharing SnSe6 octahedra. There are two shorter (2.72 Å) and four longer (2.78 Å) Sn–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a square co-planar geometry to four equivalent Eu3+ atoms. In the second Se2- site, Se2- is bonded to four equivalent Eu3+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing SeEu4Sn square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Eu3+ and two equivalent Sn4+ atoms.