Materials Data on MnSb2Pb5O11 by Materials Project

Abstract

Pb5Sb2MnO11 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mn2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mn–O bond distances ranging from 2.26–2.46 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are one shorter (2.34 Å) and four longer (2.49 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–2.92 Å. In the third Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–2.55 Å. Sb5+ is bonded to six O2- atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mn2+, two Pb2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Pb2+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Pb2+, and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in an octahedral geometry to one Mn2+ and five Pb2+ atoms.