Materials Data on PBr2N by Materials Project

doi:10.17188/1275636

Title: Materials Data on PBr2N by Materials Project

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Abstract

PNBr2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two 2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium molecules. P5+ is bonded to two equivalent N3- and two Br1- atoms to form corner-sharing PBr2N2 tetrahedra. Both P–N bond lengths are 1.59 Å. Both P–Br bond lengths are 2.21 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two 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 single-bond geometry to one P5+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-570315

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; PBr2N; Br-N-P

OSTI Identifier:: 1275636

DOI:: https://doi.org/10.17188/1275636

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                    The Materials Project. Materials Data on PBr2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275636.

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                    The Materials Project. Materials Data on PBr2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1275636

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                    The Materials Project. 2020.  
"Materials Data on PBr2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1275636.  https://www.osti.gov/servlets/purl/1275636. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1275636,

  title        = {Materials Data on PBr2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PNBr2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two 2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium molecules. P5+ is bonded to two equivalent N3- and two Br1- atoms to form corner-sharing PBr2N2 tetrahedra. Both P–N bond lengths are 1.59 Å. Both P–Br bond lengths are 2.21 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two 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 single-bond geometry to one P5+ atom.},

  doi          = {10.17188/1275636},

  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/10.17188/1275636

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