Materials Data on Pb2CO3F2 by Materials Project

doi:10.17188/1269074

Title: Materials Data on Pb2CO3F2 by Materials Project

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Abstract

Pb2CO3F2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to five O2- and four equivalent F1- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.06 Å. There are a spread of Pb–F bond distances ranging from 2.47–2.76 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent Pb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one C4+ atom. F1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-555946

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; Pb2CO3F2; C-F-O-Pb

OSTI Identifier:: 1269074

DOI:: https://doi.org/10.17188/1269074

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                    The Materials Project. Materials Data on Pb2CO3F2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269074.

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                    The Materials Project. Materials Data on Pb2CO3F2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269074

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                    The Materials Project. 2020.  
"Materials Data on Pb2CO3F2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269074.  https://www.osti.gov/servlets/purl/1269074. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1269074,

  title        = {Materials Data on Pb2CO3F2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb2CO3F2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to five O2- and four equivalent F1- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.06 Å. There are a spread of Pb–F bond distances ranging from 2.47–2.76 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent Pb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one C4+ atom. F1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ atoms.},

  doi          = {10.17188/1269074},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269074

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