Materials Data on EuCu2SnS4 by Materials Project

Abstract

EuCu2SnS4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.04–3.21 Å. Cu1+ is bonded to four S2- atoms to form distorted CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra, corners with four equivalent SnS4 tetrahedra, and an edgeedge with one CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.44 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra. There are one shorter (2.45 Å) and three longer (2.46 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Eu2+, two equivalent Cu1+, and one Sn4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Eu2+, two equivalent Cu1+, and one Sn4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Eu2+, two equivalent Cu1+, and one Sn4+ atom.