Materials Data on Yb2ReC2 by Materials Project

Abstract

Yb2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb+2.50+ sites. In the first Yb+2.50+ site, Yb+2.50+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing YbC5 square pyramids. There are a spread of Yb–C bond distances ranging from 2.59–2.73 Å. In the second Yb+2.50+ site, Yb+2.50+ is bonded in a square co-planar geometry to four C4- atoms. There are a spread of Yb–C bond distances ranging from 2.59–2.89 Å. Re3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of Re–C bond distances ranging from 1.86–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Yb+2.50+ and two equivalent Re3+ atoms to form a mixture of edge and corner-sharing CYb4Re2 octahedra. The corner-sharing octahedra tilt angles range from 5–52°. In the second C4- site, C4- is bonded to five Yb+2.50+ and one Re3+ atom to form a mixture of distorted edge and corner-sharing CYb5Re octahedra. The corner-sharing octahedra tilt angles range from 5–52°.