Materials Data on TbRe2SiC by Materials Project

Abstract

TbRe2SiC crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to three equivalent Si and four C atoms. There are one shorter (3.03 Å) and two longer (3.14 Å) Tb–Si bond lengths. All Tb–C bond lengths are 2.74 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.49 Å) and two longer (2.51 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. In the second Re site, 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 (2.50 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 Tb and six Re atoms. There are two inequivalent C sites. In the first C site, C is bonded to four equivalent Tb and two equivalent Re atoms to form a mixture of edge and corner-sharing CTb4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°. In the second C site, C is bonded to four equivalent Tb and two equivalent Re atoms to form a mixture of edge and corner-sharing CTb4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.