Materials Data on Tb5Ga3 by Materials Project
Tb5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six Ga atoms to form distorted TbGa6 octahedra that share corners with six equivalent TbGa6 octahedra, corners with sixteen equivalent TbGa5 trigonal bipyramids, and faces with eight equivalent TbGa5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–54°. There are four shorter (3.06 Å) and two longer (3.54 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded to five Ga atoms to form distorted TbGa5 trigonal bipyramids that share corners with four equivalent TbGa6 octahedra, corners with twelve equivalent TbGa5 trigonal bipyramids, edges with seven equivalent TbGa5 trigonal bipyramids, faces with two equivalent TbGa6 octahedra, and a faceface with one TbGa5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are a spread of Tb–Ga bond distances ranging from 3.08–3.21 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Tb atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Tb and one Ga atom. The Ga–Ga bond length is 2.65 Å.