Materials Data on Tb2Co17 by Materials Project

Abstract

Tb2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.95–3.25 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Tb–Co bond distances ranging from 2.90–3.14 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Tb and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.66 Å. In the second Co site, Co is bonded to two equivalent Tb and ten Co atoms to form CoTb2Co10 cuboctahedra that share corners with fourteen CoTb2Co10 cuboctahedra, edges with six equivalent CoTb3Co9 cuboctahedra, and faces with ten CoTb2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two Tb and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.56 Å. In the fourth Co site, Co is bonded to three Tb and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoTb3Co9 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.