Materials Data on K2PbO3 by Materials Project

doi:10.17188/1271974

Title: Materials Data on K2PbO3 by Materials Project

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Abstract

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°.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-561277

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; K2PbO3; K-O-Pb

OSTI Identifier:: 1271974

DOI:: https://doi.org/10.17188/1271974

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                    The Materials Project. Materials Data on K2PbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271974.

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                    The Materials Project. Materials Data on K2PbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271974

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                    The Materials Project. 2020.  
"Materials Data on K2PbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271974.  https://www.osti.gov/servlets/purl/1271974. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1271974,

  title        = {Materials Data on K2PbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {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°.},

  doi          = {10.17188/1271974},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1271974

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