Materials Data on Eu(GaS2)2 by Materials Project

Abstract

EuGa2S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.09–3.14 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.09 Å) and four longer (3.12 Å) Eu–S bond lengths. In the third Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.10 Å) and four longer (3.12 Å) Eu–S bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.33 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are one shorter (2.27 Å) and three longer (2.32 Å) Ga–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two Eu2+ and two Ga3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two Eu2+ and two equivalent Ga3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Eu2+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Eu2+ and two equivalent Ga3+ atoms.