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DOE OSTI · 1742976

Materials Data on Mn7PbO12 by Materials Project

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Abstract

PbMn3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are two inequivalent Mn+3.14+ sites. In the first Mn+3.14+ site, Mn+3.14+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.97 Å. In the second Mn+3.14+ site, Mn+3.14+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn–O bond lengths are 2.02 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Pb–O bond lengths are 2.74 Å. O2- is bonded in a 3-coordinate geometry to three Mn+3.14+ and one Pb2+ atom.

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36 MATERIALS SCIENCEcrystal structureMn-O-PbMn7PbO12

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2020-05-02. Materials Data on Mn7PbO12 by Materials Project. https://doi.org/10.17188/1742976

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