Materials Data on Lu2ReC2 by Materials Project

Abstract

Lu2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to five C atoms to form a mixture of corner and edge-sharing LuC5 square pyramids. There are a spread of Lu–C bond distances ranging from 2.45–2.53 Å. In the second Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Lu–C bond distances ranging from 2.47–2.55 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 1.94–2.03 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Lu and two equivalent Re atoms to form a mixture of corner and edge-sharing CLu4Re2 octahedra. The corner-sharing octahedra tilt angles range from 10–37°. In the second C site, C is bonded to five Lu and one Re atom to form a mixture of corner and edge-sharing CLu5Re octahedra. The corner-sharing octahedra tilt angles range from 2–37°.