Materials Data on CsGa7 by Materials Project

Abstract

CsGa7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to fifteen Ga atoms. There are a spread of Cs–Ga bond distances ranging from 3.85–3.94 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Cs and four Ga atoms. There are one shorter (2.62 Å) and three longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Cs and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.83 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Cs and six Ga atoms. Both Ga–Ga bond lengths are 2.83 Å.