Materials Data on Tb2Re2Si2C by Materials Project

Abstract

Tb2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Tb–Si bond distances ranging from 3.04–3.15 Å. Both Tb–C bond lengths are 2.65 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.46 Å) and one longer (2.48 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Tb3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.57 Å. C4- is bonded to four equivalent Tb3+ and two equivalent Re3+ atoms to form edge-sharing CTb4Re2 octahedra.