Materials Data on Pb2Br5N by Materials Project

doi:10.17188/1737943

Title: Materials Data on Pb2Br5N by Materials Project

Dataset

Abstract

Pb2NBr5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pb4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.95–3.28 Å. N3- is bonded in a distorted q6 geometry to ten Br1- atoms. There are two shorter (3.62 Å) and eight longer (3.69 Å) N–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb4+ and two equivalent N3- atoms. In the second Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent Pb4+ and two equivalent N3- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1189233

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; Pb2Br5N; Br-N-Pb

OSTI Identifier:: 1737943

DOI:: https://doi.org/10.17188/1737943

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                    The Materials Project. Materials Data on Pb2Br5N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1737943.

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                    The Materials Project. Materials Data on Pb2Br5N by Materials Project.  United States.  doi:https://doi.org/10.17188/1737943

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                    The Materials Project. 2020.  
"Materials Data on Pb2Br5N by Materials Project".  United States.  doi:https://doi.org/10.17188/1737943.  https://www.osti.gov/servlets/purl/1737943. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1737943,

  title        = {Materials Data on Pb2Br5N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb2NBr5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pb4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.95–3.28 Å. N3- is bonded in a distorted q6 geometry to ten Br1- atoms. There are two shorter (3.62 Å) and eight longer (3.69 Å) N–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb4+ and two equivalent N3- atoms. In the second Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent Pb4+ and two equivalent N3- atoms.},

  doi          = {10.17188/1737943},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1737943

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