Materials Data on SbBrO by Materials Project
SbOBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.34 Å. In the second Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to two O2- and two Br1- atoms. There are one shorter (2.01 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.62 Å) and one longer (3.19 Å) Sb–Br bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to two O2- and two Br1- atoms. Both Sb–O bond lengths are 2.05 Å. There are one shorter (2.60 Å) and one longer (3.18 Å) Sb–Br bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two Sb3+ atoms.