Materials Data on Re2AuSe by Materials Project

Abstract

Re2AuSe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Au and four equivalent Se atoms to form distorted ReAu6Se4 tetrahedra that share corners with six equivalent ReAu6Se4 tetrahedra, edges with twelve equivalent ReAu4Se6 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 3.21 Å. All Re–Se bond lengths are 2.78 Å. In the second Re site, Re is bonded to four equivalent Au and six equivalent Se atoms to form distorted ReAu4Se6 tetrahedra that share corners with six equivalent ReAu4Se6 tetrahedra, edges with twelve equivalent ReAu6Se4 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 2.78 Å. All Re–Se bond lengths are 3.21 Å. Au is bonded in a 4-coordinate geometry to ten Re and four equivalent Se atoms. All Au–Se bond lengths are 2.78 Å. Se is bonded in a 4-coordinate geometry to ten Re and four equivalent Au atoms.