Materials Data on Eu3Ga8 by Materials Project

Abstract

Eu3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to twelve Ga atoms to form a mixture of edge and face-sharing EuGa12 cuboctahedra. There are four shorter (3.32 Å) and eight longer (3.40 Å) Eu–Ga bond lengths. In the second Eu site, Eu is bonded in a 12-coordinate geometry to fourteen Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.36–3.49 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.68 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Eu and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.51 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Eu and three Ga atoms. The Ga–Ga bond length is 2.51 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Eu and five Ga atoms.