Materials Data on Nd3Ga2 by Materials Project
Nd3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.03–3.83 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.12–3.68 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.10–3.44 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Nd atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Nd atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Nd and one Ga atom. The Ga–Ga bond length is 2.87 Å.