Materials Data on Eu2Ga2GeS7 by Materials Project

Abstract

Eu2Ga2GeS7 crystallizes in the tetragonal P-42_1m 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 2.90–3.45 Å. Ga3+ is bonded to four S2- atoms to form distorted GaS4 trigonal pyramids that share corners with two equivalent GeS4 tetrahedra and a cornercorner with one GaS4 trigonal pyramid. There are a spread of Ga–S bond distances ranging from 2.20–2.35 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent GaS4 trigonal pyramids. All Ge–S bond lengths are 2.25 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Eu2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SEu3Ga tetrahedra. In the second S2- site, S2- is bonded to two equivalent Eu2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SEu2Ga2 tetrahedra. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Eu2+, one Ga3+, and one Ge4+ atom.