Materials Data on Gd3Co11B4 by Materials Project
Gd3Co11B4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.88 Å) and six longer (2.96 Å) Gd–Co bond lengths. All Gd–B bond lengths are 2.92 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Gd–Co bond lengths are 2.92 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Gd, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.46 Å. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Gd and six equivalent Co atoms. In the third Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Gd and four equivalent B atoms. All Co–B bond lengths are 2.08 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd and six Co atoms.