Materials Data on Mn2BrO3 by Materials Project
Mn2O3Br crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to four O2- and two equivalent Br1- atoms to form distorted edge-sharing MnBr2O4 octahedra. There is two shorter (1.99 Å) and two longer (2.00 Å) Mn–O bond length. Both Mn–Br bond lengths are 2.71 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to five O2- and one Br1- atom to form distorted edge-sharing MnBrO5 octahedra. There is three shorter (1.96 Å) and two longer (1.99 Å) Mn–O bond length. The Mn–Br bond length is 2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+3.50+ and one Br1- atom. The O–Br bond length is 2.90 Å. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ and one Br1- atom. The O–Br bond length is 2.98 Å. Br1- is bonded in a 6-coordinate geometry to three Mn+3.50+ and three O2- atoms.