Materials Data on TbCo9Si2 by Materials Project

Abstract

TbCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 3.01–3.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Tb, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.61 Å. All Co–Si bond lengths are 2.54 Å. In the second Co site, Co is bonded to two equivalent Tb, eight Co, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing CoTb2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.66 Å. There are one shorter (2.35 Å) and one longer (2.37 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co atoms.