Materials Data on Gd6CoBr10 by Materials Project

Abstract

Gd6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Gd–Co bond length is 2.70 Å. There are a spread of Gd–Br bond distances ranging from 2.85–3.10 Å. In the second Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Gd–Co bond length is 2.64 Å. There are a spread of Gd–Br bond distances ranging from 2.90–3.09 Å. In the third Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Gd–Co bond length is 2.69 Å. There are a spread of Gd–Br bond distances ranging from 2.94–3.10 Å. Co is bonded in an octahedral geometry to six Gd atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in a T-shaped geometry to three Gd atoms. In the second Br site, Br is bonded in a T-shaped geometry to three Gd atoms. In the third Br site, Br is bonded in a see-saw-like geometry to four Gd atoms. In the fourth Br site, Br is bonded in a 3-coordinate geometry to three Gd atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two Gd atoms.