Materials Data on Ti6Ga16Os7 by Materials Project

Abstract

Ti6Os7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.73 Å) and four longer (2.80 Å) Ti–Ga bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to eight Ga atoms to form distorted edge-sharing OsGa8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.65 Å) Os–Ga bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Os–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti and three equivalent Os atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Ti and four Os atoms.