Materials Data on Gd2ReC2 by Materials Project

Abstract

Gd2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Gd–C bond distances ranging from 2.55–2.73 Å. In the second Gd site, Gd is bonded to five C atoms to form a mixture of corner and edge-sharing GdC5 square pyramids. There are a spread of Gd–C bond distances ranging from 2.53–2.61 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 four Gd and two equivalent Re atoms to form a mixture of corner and edge-sharing CGd4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–40°. In the second C site, C is bonded to five Gd and one Re atom to form a mixture of corner and edge-sharing CGd5Re octahedra. The corner-sharing octahedra tilt angles range from 3–40°.