Materials Data on Gd6CoCl10 by Materials Project

Abstract

Gd6CoCl10 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 Cl atoms to form a mixture of edge and corner-sharing GdCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Gd–Co bond length is 2.54 Å. There are a spread of Gd–Cl bond distances ranging from 2.80–2.98 Å. In the second Gd site, Gd is bonded to one Co and five Cl atoms to form a mixture of edge and corner-sharing GdCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Gd–Co bond length is 2.70 Å. There are a spread of Gd–Cl bond distances ranging from 2.71–3.00 Å. In the third Gd site, Gd is bonded to one Co and five Cl atoms to form a mixture of edge and corner-sharing GdCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Gd–Co bond length is 2.71 Å. There are a spread of Gd–Cl bond distances ranging from 2.70–2.96 Å. Co is bonded in an octahedral geometry to six Gd atoms. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a T-shaped geometry to three Gd atoms. In the second Cl site, Cl is bonded in a see-saw-like geometry to four Gd atoms. In the third Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Gd atoms. In the fourth Cl site, Cl is bonded in a T-shaped geometry to three Gd atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometry to two Gd atoms.