Materials Data on Ho8Ga3Co by Materials Project
Ho8CoGa3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to one Co and four equivalent Ga atoms to form distorted HoGa4Co trigonal pyramids that share corners with two equivalent HoGa6 octahedra, corners with three equivalent HoGa3Co tetrahedra, corners with six equivalent HoGa4Co trigonal pyramids, an edgeedge with one HoGa3Co tetrahedra, edges with four equivalent HoGa4Co trigonal pyramids, and faces with two equivalent HoGa6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. The Ho–Co bond length is 2.81 Å. There are a spread of Ho–Ga bond distances ranging from 2.93–3.74 Å. In the second Ho site, Ho is bonded to one Co and three equivalent Ga atoms to form distorted HoGa3Co tetrahedra that share corners with six equivalent HoGa6 octahedra, corners with nine equivalent HoGa4Co trigonal pyramids, and edges with three equivalent HoGa4Co trigonal pyramids. The corner-sharing octahedra tilt angles range from 16–47°. The Ho–Co bond length is 2.64 Å. All Ho–Ga bond lengths are 3.07 Å. In the third Ho site, Ho is bonded in a 3-coordinate geometry to one Co and four equivalent Ga atoms. The Ho–Co bond length is 2.77 Å. There are two shorter (3.15 Å) and two longer (3.69 Å) Ho–Ga bond lengths. In the fourth Ho site, Ho is bonded to six equivalent Ga atoms to form distorted HoGa6 octahedra that share corners with six equivalent HoGa3Co tetrahedra, corners with six equivalent HoGa4Co trigonal pyramids, faces with two equivalent HoGa6 octahedra, and faces with six equivalent HoGa4Co trigonal pyramids. There are three shorter (3.25 Å) and three longer (3.36 Å) Ho–Ga bond lengths. Co is bonded in a 7-coordinate geometry to seven Ho atoms. Ga is bonded in a 11-coordinate geometry to eleven Ho atoms.