Materials Data on Y2ReC2 by Materials Project
Y2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Y–C bond distances ranging from 2.54–2.71 Å. In the second Y site, Y is bonded to five C atoms to form a mixture of corner and edge-sharing YC5 square pyramids. There are a spread of Y–C bond distances ranging from 2.51–2.58 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 1.93–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Y and one Re atom to form a mixture of corner and edge-sharing CY5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°. In the second C site, C is bonded to four Y and two equivalent Re atoms to form a mixture of corner and edge-sharing CY4Re2 octahedra. The corner-sharing octahedra tilt angles range from 11–39°.