Materials Data on Er6CoBr10 by Materials Project

Abstract

Er6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ErCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Er–Co bond length is 2.62 Å. There are a spread of Er–Br bond distances ranging from 2.77–3.07 Å. In the second Er site, Er is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ErCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Er–Co bond length is 2.54 Å. There are a spread of Er–Br bond distances ranging from 2.81–3.07 Å. In the third Er site, Er is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ErCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Er–Co bond length is 2.57 Å. There are a spread of Er–Br bond distances ranging from 2.88–3.08 Å. Co is bonded in an octahedral geometry to six Er atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in a see-saw-like geometry to four Er atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to three Er atoms. In the third Br site, Br is bonded in a distorted T-shaped geometry to three Er atoms. In the fourth Br site, Br is bonded in a distorted T-shaped geometry to three Er atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two Er atoms.