Materials Data on PBr3O by Materials Project

doi:10.17188/1270435

Title: Materials Data on PBr3O by Materials Project

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Abstract

POBr3 is beta Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxybromide molecules. P5+ is bonded in a distorted tetrahedral geometry to one O2- and three Br1- atoms. The P–O bond length is 1.48 Å. All P–Br bond lengths are 2.20 Å. O2- is bonded in a single-bond geometry to one P5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one P5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-558645

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; PBr3O; Br-O-P

OSTI Identifier:: 1270435

DOI:: https://doi.org/10.17188/1270435

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                    The Materials Project. Materials Data on PBr3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270435.

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                    The Materials Project. Materials Data on PBr3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1270435

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                    The Materials Project. 2020.  
"Materials Data on PBr3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1270435.  https://www.osti.gov/servlets/purl/1270435. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1270435,

  title        = {Materials Data on PBr3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {POBr3 is beta Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxybromide molecules. P5+ is bonded in a distorted tetrahedral geometry to one O2- and three Br1- atoms. The P–O bond length is 1.48 Å. All P–Br bond lengths are 2.20 Å. O2- is bonded in a single-bond geometry to one P5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one P5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.},

  doi          = {10.17188/1270435},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270435

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