Materials Data on Er2OsC2 by Materials Project

Abstract

Er2OsC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.46–2.56 Å. In the second Er3+ site, Er3+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Er–C bond distances ranging from 2.51–2.55 Å. Os2+ is bonded in a distorted trigonal planar geometry to three C4- atoms. There are a spread of Os–C bond distances ranging from 1.94–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Er3+ and two equivalent Os2+ atoms to form a mixture of corner and edge-sharing CEr4Os2 octahedra. The corner-sharing octahedra tilt angles range from 10–39°. In the second C4- site, C4- is bonded to five Er3+ and one Os2+ atom to form a mixture of corner and edge-sharing CEr5Os octahedra. The corner-sharing octahedra tilt angles range from 3–39°.