Materials Data on TbGa3Os by Materials Project

Abstract

TbOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Tb–Os bond lengths are 3.22 Å. There are eight shorter (2.97 Å) and two longer (3.22 Å) Tb–Ga bond lengths. Os is bonded to four equivalent Tb and eight equivalent Ga atoms to form distorted OsTb4Ga8 cuboctahedra that share corners with four equivalent OsTb4Ga8 cuboctahedra, edges with four equivalent GaTb6 octahedra, and faces with eight equivalent OsTb4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tb atoms to form GaTb6 octahedra that share corners with six equivalent GaTb6 octahedra and edges with twelve equivalent OsTb4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Tb, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.