Materials Data on MnPb(SO4)2 by Materials Project

PbMn(SO4)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 2.19–2.28 Å. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.56–3.21 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 37–51°. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn2+, one Pb2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+, one Pb2+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+, one Pb2+, and one S6+ atom.