Materials Data on Er2Mo2C3 by Materials Project

Abstract

Er2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.42–2.52 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 Er3+ and three equivalent Mo3+ atoms to form CEr3Mo3 octahedra that share corners with three equivalent CEr4Mo2 octahedra and edges with nine CEr3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. In the second C4- site, C4- is bonded to four equivalent Er3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CEr4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–28°.