Materials Data on Rh2(Se3Br2)3 by Materials Project

Abstract

Rh2Se9Br2(Br)4 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of thirty-two hydrobromic acid molecules and eight Rh2Se9Br2 clusters. In each Rh2Se9Br2 cluster, Rh3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. All Rh–Se bond lengths are 2.42 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and two Se2- atoms. There are one shorter (2.38 Å) and one longer (2.54 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two Se2- and one Br2+ atom. The Se–Se bond length is 2.42 Å. The Se–Br bond length is 3.12 Å. In the third Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Se2- atoms. Both Se–Se bond lengths are 2.38 Å. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and two Se2- atoms. In the fifth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Rh3+ and two Se2- atoms. The Se–Se bond length is 2.49 Å. Br2+ is bonded in a 1-coordinate geometry to one Se2- atom.