Materials Data on Ca2PbO4 by Materials Project

doi:10.17188/1196409

Title: Materials Data on Ca2PbO4 by Materials Project

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Abstract

Ca2PbO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.84 Å. Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.16 Å) and four longer (2.28 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing OCa4Pb trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-21137

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; Ca2PbO4; Ca-O-Pb

OSTI Identifier:: 1196409

DOI:: https://doi.org/10.17188/1196409

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                    The Materials Project. Materials Data on Ca2PbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196409.

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                    The Materials Project. Materials Data on Ca2PbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196409

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                    The Materials Project. 2020.  
"Materials Data on Ca2PbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196409.  https://www.osti.gov/servlets/purl/1196409. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1196409,

  title        = {Materials Data on Ca2PbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2PbO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.84 Å. Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.16 Å) and four longer (2.28 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing OCa4Pb trigonal bipyramids.},

  doi          = {10.17188/1196409},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196409

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