Materials Data on ErRe2SiC by Materials Project

Abstract

ErRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Er–Si bond lengths. All Er–C bond lengths are 2.72 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.49 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Re atoms. C is bonded to four equivalent Er and two equivalent Re atoms to form a mixture of corner and edge-sharing CEr4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.