Materials Data on Ho4C5 by Materials Project
Ho4C5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to five C+2.40- atoms to form HoC5 trigonal bipyramids that share corners with two equivalent CHo5C octahedra, corners with four equivalent HoC5 trigonal bipyramids, and edges with two equivalent HoC5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 36–48°. There are a spread of Ho–C bond distances ranging from 2.39–2.68 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to nine C+2.40- atoms. There are a spread of Ho–C bond distances ranging from 2.44–2.86 Å. There are three inequivalent C+2.40- sites. In the first C+2.40- site, C+2.40- is bonded to six Ho3+ atoms to form CHo6 octahedra that share corners with four equivalent CHo5C octahedra and edges with six CHo6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second C+2.40- site, C+2.40- is bonded to five Ho3+ and one C+2.40- atom to form CHo5C octahedra that share corners with six CHo6 octahedra, corners with two equivalent HoC5 trigonal bipyramids, and edges with six CHo6 octahedra. The corner-sharing octahedra tilt angles range from 29–61°. The C–C bond length is 1.34 Å. In the third C+2.40- site, C+2.40- is bonded in a 5-coordinate geometry to six Ho3+ and one C+2.40- atom.