Materials Data on Tm3Co11B4 by Materials Project

Abstract

Tm3Co11B4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Tm–Co bond lengths are 2.87 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.83 Å) and six longer (2.93 Å) Tm–Co bond lengths. All Tm–B bond lengths are 2.88 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Co atoms. All Co–Co bond lengths are 2.44 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Tm and four equivalent B atoms. All Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Tm, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.03 Å. B is bonded in a 6-coordinate geometry to three equivalent Tm and six Co atoms.