Materials Data on Mn2ClO3 by Materials Project
Mn2O3Cl 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 Cl1- atoms to form distorted edge-sharing MnCl2O4 octahedra. There is two shorter (1.98 Å) and two longer (1.99 Å) Mn–O bond length. Both Mn–Cl bond lengths are 2.61 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to five O2- and one Cl1- atom to form edge-sharing MnClO5 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–1.98 Å. The Mn–Cl bond length is 2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms. Cl1- is bonded in a 6-coordinate geometry to three Mn+3.50+ atoms.