Materials Data on Rb2HBrO by Materials Project

Abstract

Rb2HOBr crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one O2- and three equivalent Br1- atoms. The Rb–O bond length is 2.71 Å. There are two shorter (3.53 Å) and one longer (3.83 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to two equivalent H1+, two equivalent O2-, and four equivalent Br1- atoms. Both Rb–H bond lengths are 3.08 Å. Both Rb–O bond lengths are 2.97 Å. There are two shorter (3.56 Å) and two longer (3.64 Å) Rb–Br bond lengths. H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three Rb1+ and one H1+ atom. Br1- is bonded in a 7-coordinate geometry to seven Rb1+ atoms.