Materials Data on Pb(BrO3)2 by Materials Project

doi:10.17188/1298610

Title: Materials Data on Pb(BrO3)2 by Materials Project

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Abstract

Pb(O3Br)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two Pb(O3Br)2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.66 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-769016

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; Pb(BrO3)2; Br-O-Pb

OSTI Identifier:: 1298610

DOI:: https://doi.org/10.17188/1298610

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                    The Materials Project. Materials Data on Pb(BrO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298610.

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                    The Materials Project. Materials Data on Pb(BrO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298610

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                    The Materials Project. 2020.  
"Materials Data on Pb(BrO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298610.  https://www.osti.gov/servlets/purl/1298610. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1298610,

  title        = {Materials Data on Pb(BrO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb(O3Br)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two Pb(O3Br)2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.66 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.},

  doi          = {10.17188/1298610},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298610

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