Materials Data on Sc3Ga5 by Materials Project

Abstract

Sc3Ga5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.70–3.13 Å. In the second Sc site, Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.82–3.20 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Sc and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.83 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to five Sc and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.88 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Sc and four Ga atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Sc and three Ga atoms.