Materials Data on MgMn2(BrO2)6 by Materials Project

Abstract

Mg(O3Br2)2(MnO3)2(Br)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, four manganese;trihydrate molecules, and two Mg(O3Br2)2 clusters. In each Mg(O3Br2)2 cluster, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.14 Å) and two longer (2.23 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Mg2+ and one Br2+ atom. The O–Br bond length is 1.74 Å. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+ and two equivalent Br2+ atoms. Both O–Br bond lengths are 2.03 Å. Br2+ is bonded in an L-shaped geometry to two O2- atoms.