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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2PbO3 by Materials Project

K2PbO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.11 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Pb4+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–52°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pb4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PbO3 by Materials Project

K2PbO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.14 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–55°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pb4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PbO3 by Materials Project

K2PbO3 is beta Sn-derived structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.63 Å) and four longer (2.89 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to six equivalent O2- atoms to form KO6 octahedra that share edges with six equivalent PbO6 octahedra. All K–O bond lengths are 2.68 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share edges with three equivalent KO6 octahedra and edges with three equivalent PbO6 octahedra. All Pb–O bond lengths are 2.28 Å. O2- is bonded to four K1+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–49°.

36 MATERIALS SCIENCE↗