Materials Data on Ga5Ir3 by Materials Project

Abstract

Ir3Ga5 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.46–2.96 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.50–2.76 Å. In the third Ir site, Ir is bonded in a 6-coordinate geometry to six Ga atoms. There are four shorter (2.46 Å) and two longer (2.74 Å) Ir–Ga bond lengths. In the fourth Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.57 Å) and four longer (2.64 Å) Ir–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four Ir atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to five Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to five Ir atoms.