Materials Data on Er2ReC2 by Materials Project

Abstract

Er2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Er–C bond distances ranging from 2.50–2.64 Å. In the second Er site, Er is bonded to five C atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.48–2.55 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Er and one Re atom to form a mixture of edge and corner-sharing CEr5Re octahedra. The corner-sharing octahedra tilt angles range from 2–37°. In the second C site, C is bonded to four Er and two equivalent Re atoms to form a mixture of edge and corner-sharing CEr4Re2 octahedra. The corner-sharing octahedra tilt angles range from 11–37°.