Materials Data on Sb4Br2O5 by Materials Project

Abstract

Sb4O5Br2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sb4O5Br2 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and one Br1- atom. There are a spread of Sb–O bond distances ranging from 2.01–2.11 Å. The Sb–Br bond length is 3.04 Å. In the second 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 1.94–2.45 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Sb3+ atoms. Br1- is bonded in a 1-coordinate geometry to one Sb3+ atom.