Materials Data on RbMg(BrO2)3 by Materials Project

Abstract

RbMgO4Br3O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two RbMgO4Br3 sheets oriented in the (0, 1, 0) direction. In each RbMgO4Br3 sheet, Rb1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.80 Å) and two longer (3.24 Å) Rb–O bond lengths. Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.02 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.88 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.81 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a linear geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a single-bond geometry to one O2- atom.