Materials Data on Pr6CoBr10 by Materials Project
Pr6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded to one Co and five Br atoms to form a mixture of corner and edge-sharing PrCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Pr–Co bond length is 2.83 Å. There are a spread of Pr–Br bond distances ranging from 2.93–3.22 Å. In the second Pr site, Pr is bonded to one Co and five Br atoms to form a mixture of corner and edge-sharing PrCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. The Pr–Co bond length is 2.83 Å. There are a spread of Pr–Br bond distances ranging from 2.93–3.21 Å. In the third Pr site, Pr is bonded to one Co and five Br atoms to form a mixture of corner and edge-sharing PrCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Pr–Co bond length is 2.64 Å. There are a spread of Pr–Br bond distances ranging from 3.02–3.25 Å. Co is bonded in an octahedral geometry to six Pr atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in a see-saw-like geometry to four Pr atoms. In the second Br site, Br is bonded in a T-shaped geometry to three Pr atoms. In the third Br site, Br is bonded in a T-shaped geometry to three Pr atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two Pr atoms. In the fifth Br site, Br is bonded in a 3-coordinate geometry to three Pr atoms.