Materials Data on PbBr2 by Materials Project

doi:10.17188/1202200

Title: Materials Data on PbBr2 by Materials Project

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Abstract

PbBr2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.91–3.58 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing BrPb4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-28077

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; PbBr2; Br-Pb

OSTI Identifier:: 1202200

DOI:: https://doi.org/10.17188/1202200

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                    The Materials Project. Materials Data on PbBr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202200.

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                    The Materials Project. Materials Data on PbBr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202200

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                    The Materials Project. 2020.  
"Materials Data on PbBr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202200.  https://www.osti.gov/servlets/purl/1202200. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1202200,

  title        = {Materials Data on PbBr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PbBr2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.91–3.58 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing BrPb4 tetrahedra.},

  doi          = {10.17188/1202200},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202200

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