Materials Data on AuBr3 by Materials Project

Abstract

AuBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tribromogold molecules. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Au–Br bond distances ranging from 2.44–2.52 Å. In the second Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Au–Br bond distances ranging from 2.45–2.54 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two Au3+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the sixth Br1- site, Br1- is bonded in an L-shaped geometry to two Au3+ atoms.