Materials Data on Ce2Ga9CoGe2 by Materials Project

Abstract

Ce2CoGa9Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to ten Ga and four Ge atoms. There are a spread of Ce–Ga bond distances ranging from 3.21–3.37 Å. There are two shorter (2.99 Å) and two longer (3.10 Å) Ce–Ge bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Ce, two equivalent Co, three equivalent Ga, and two Ge atoms. There are one shorter (2.59 Å) and two longer (2.85 Å) Ga–Ga bond lengths. There are one shorter (2.69 Å) and one longer (2.90 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Ce and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.62 Å. In the third Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ce, four equivalent Ga, and one Ge atom. The Ga–Ge bond length is 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Ga atoms.