Materials Data on Dy2ReC2 by Materials Project

Abstract

Dy2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to five C atoms to form a mixture of corner and edge-sharing DyC5 square pyramids. There are one shorter (2.50 Å) and four longer (2.57 Å) Dy–C bond lengths. In the second Dy site, Dy is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Dy–C bond distances ranging from 2.53–2.67 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 Dy and two equivalent Re atoms to form a mixture of corner and edge-sharing CDy4Re2 octahedra. The corner-sharing octahedra tilt angles range from 11–39°. In the second C site, C is bonded to five Dy and one Re atom to form a mixture of corner and edge-sharing CDy5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°.