Materials Data on HoGa3Ru by Materials Project

Abstract

HoRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Ho–Ru bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and two longer (3.21 Å) Ho–Ga bond lengths. Ru is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted RuHo4Ga8 cuboctahedra that share corners with four equivalent RuHo4Ga8 cuboctahedra, edges with four equivalent GaHo6 octahedra, and faces with eight equivalent RuHo4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ho atoms to form GaHo6 octahedra that share corners with six equivalent GaHo6 octahedra and edges with twelve equivalent RuHo4Ga8 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 Ho, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.