Materials Data on Pb(BrO3)2 by Materials Project

doi:10.17188/1289510

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

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Abstract

Pb(O3Br)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.69–3.03 Å. There are three inequivalent O2- sites. In the first 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 1.69 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Br5+ atom. The O–Br bond length is 1.69 Å. In the third 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. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.

Publication Date:: 2020-05-09

Other Number(s):: mp-754665

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Br-O-Pb; Pb(BrO3)2; crystal structure

OSTI Identifier:: 1289510

DOI:: https://doi.org/10.17188/1289510

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                    Materials Data on Pb(BrO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289510.

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                    Materials Data on Pb(BrO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289510

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                    2020.  
"Materials Data on Pb(BrO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289510.  https://www.osti.gov/servlets/purl/1289510. Pub date:Sat May 09 04:00:00 UTC 2020

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@article{osti_1289510,

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

  
  abstractNote = {Pb(O3Br)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.69–3.03 Å. There are three inequivalent O2- sites. In the first 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 1.69 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Br5+ atom. The O–Br bond length is 1.69 Å. In the third 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. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.},

  doi          = {10.17188/1289510},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289510

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