Materials Data on Ho2Mo2C3 by Materials Project

Abstract

Ho2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho3+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing HoC5 square pyramids. There are a spread of Ho–C bond distances ranging from 2.43–2.53 Å. Mo3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Mo–C bond distances ranging from 2.06–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Ho3+ and three equivalent Mo3+ atoms to form CHo3Mo3 octahedra that share corners with three equivalent CHo4Mo2 octahedra and edges with nine CHo3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. In the second C4- site, C4- is bonded to four equivalent Ho3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CHo4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–28°.