Materials Data on KPb2C2O6F by Materials Project

doi:10.17188/1751699

Title: Materials Data on KPb2C2O6F by Materials Project

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Abstract

KPb2C2O6F crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two KPb2C2O6F sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to six equivalent O2- and three equivalent F1- atoms. All K–O bond lengths are 2.71 Å. All K–F bond lengths are 3.10 Å. Pb2+ is bonded in a 1-coordinate geometry to one F1- atom. The Pb–F bond length is 2.36 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom. F1- is bonded to three equivalent K1+ and two equivalent Pb2+ atoms to form corner-sharing FK3Pb2 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1191763

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; KPb2C2O6F; C-F-K-O-Pb

OSTI Identifier:: 1751699

DOI:: https://doi.org/10.17188/1751699

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                    The Materials Project. Materials Data on KPb2C2O6F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751699.

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                    The Materials Project. Materials Data on KPb2C2O6F by Materials Project.  United States.  doi:https://doi.org/10.17188/1751699

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                    The Materials Project. 2020.  
"Materials Data on KPb2C2O6F by Materials Project".  United States.  doi:https://doi.org/10.17188/1751699.  https://www.osti.gov/servlets/purl/1751699. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751699,

  title        = {Materials Data on KPb2C2O6F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KPb2C2O6F crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two KPb2C2O6F sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to six equivalent O2- and three equivalent F1- atoms. All K–O bond lengths are 2.71 Å. All K–F bond lengths are 3.10 Å. Pb2+ is bonded in a 1-coordinate geometry to one F1- atom. The Pb–F bond length is 2.36 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom. F1- is bonded to three equivalent K1+ and two equivalent Pb2+ atoms to form corner-sharing FK3Pb2 trigonal bipyramids.},

  doi          = {10.17188/1751699},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751699

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