Materials Data on Nd3GaCo3 by Materials Project

Abstract

Nd3Co3Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to six Co atoms. There are a spread of Nd–Co bond distances ranging from 2.80–3.32 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to seven Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.30 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six Nd, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.53 Å. Both Co–Ga bond lengths are 2.43 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to seven Nd and two equivalent Co atoms. Ga is bonded in a 12-coordinate geometry to four equivalent Co atoms.