Materials Data on NdGa3Ni by Materials Project

Abstract

NdNiGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Nd–Ni bond lengths are 3.34 Å. There are a spread of Nd–Ga bond distances ranging from 3.13–3.33 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Nd and five Ga atoms. There are one shorter (2.32 Å) and four longer (2.38 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Nd, two equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Nd, one Ni, and four equivalent Ga atoms.