Materials Data on NbSBr by Materials Project

doi:10.17188/1708519

Title: Materials Data on NbSBr by Materials Project

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Abstract

NbSBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb3+ is bonded to three equivalent S2- and three equivalent Br1- atoms to form distorted edge-sharing NbS3Br3 octahedra. All Nb–S bond lengths are 2.42 Å. All Nb–Br bond lengths are 2.84 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms. Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1209893

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; NbSBr; Br-Nb-S

OSTI Identifier:: 1708519

DOI:: https://doi.org/10.17188/1708519

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                    The Materials Project. Materials Data on NbSBr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708519.

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                    The Materials Project. Materials Data on NbSBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1708519

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                    The Materials Project. 2020.  
"Materials Data on NbSBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1708519.  https://www.osti.gov/servlets/purl/1708519. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1708519,

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

  author       = {The Materials Project},

  abstractNote = {NbSBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb3+ is bonded to three equivalent S2- and three equivalent Br1- atoms to form distorted edge-sharing NbS3Br3 octahedra. All Nb–S bond lengths are 2.42 Å. All Nb–Br bond lengths are 2.84 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms. Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb3+ atoms.},

  doi          = {10.17188/1708519},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708519

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