Materials Data on Mn2CrPb2O9 by Materials Project

CrMn2Pb2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.64–1.70 Å. There are two inequivalent Mn+4.50+ sites. In the first Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.88–2.00 Å. In the second Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.87–2.01 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.23 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.98 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr5+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr5+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+4.50+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+4.50+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn+4.50+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn+4.50+ and two Pb2+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Mn+4.50+ and one Pb2+ atom.