Materials Data on Tm2ReC2 by Materials Project

Abstract

Tm2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to five C atoms to form a mixture of corner and edge-sharing TmC5 square pyramids. There are a spread of Tm–C bond distances ranging from 2.46–2.55 Å. In the second Tm site, Tm is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Tm–C bond distances ranging from 2.50–2.59 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 1.93–2.02 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Tm and two equivalent Re atoms to form a mixture of corner and edge-sharing CTm4Re2 octahedra. The corner-sharing octahedra tilt angles range from 10–39°. In the second C site, C is bonded to five Tm and one Re atom to form a mixture of corner and edge-sharing CTm5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°.