Materials Data on Tb5Si3C by Materials Project
Tb5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb+3.20+ sites. In the first Tb+3.20+ site, Tb+3.20+ is bonded to six equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing TbSi6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Tb–Si bond lengths are 3.04 Å. In the second Tb+3.20+ site, Tb+3.20+ 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 3.02–3.61 Å. Both Tb–C bond lengths are 2.50 Å. Si4- is bonded in a 9-coordinate geometry to nine Tb+3.20+ atoms. C4- is bonded to six equivalent Tb+3.20+ atoms to form face-sharing CTb6 octahedra.