Materials Data on Ho2In8Co by Materials Project

Abstract

Ho2CoIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve In atoms to form HoIn12 cuboctahedra that share corners with eight equivalent HoIn12 cuboctahedra, edges with twelve InHo4In8 cuboctahedra, faces with five equivalent HoIn12 cuboctahedra, and faces with eight InHo4In8 cuboctahedra. There are four shorter (3.22 Å) and eight longer (3.28 Å) Ho–In bond lengths. Co is bonded in a body-centered cubic geometry to eight In atoms. All Co–In bond lengths are 2.73 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven In atoms. There are a spread of In–In bond distances ranging from 2.87–3.28 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven In atoms. Both In–Ho bond lengths are 3.22 Å. There are two shorter (3.20 Å) and four longer (3.28 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Ho and eight In atoms to form distorted InHo4In8 cuboctahedra that share corners with four equivalent InHo4In8 cuboctahedra, edges with eight equivalent HoIn12 cuboctahedra, edges with eight equivalent InHo4In8 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with twelve InHo4In8 cuboctahedra. There are four shorter (3.28 Å) and four longer (3.30 Å) In–In bond lengths. In the fourth In site, In is bonded to four equivalent Ho and eight In atoms to form distorted InHo4In8 cuboctahedra that share corners with eight equivalent InHo4In8 cuboctahedra, edges with four equivalent HoIn12 cuboctahedra, edges with eight equivalent InHo4In8 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with nine InHo4In8 cuboctahedra.