Materials Data on MoBr5N2O by Materials Project

doi:10.17188/1680898

Title: Materials Data on MoBr5N2O by Materials Project

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Abstract

MoOBr5N2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four MoOBr5 clusters. In each MoOBr5 cluster, Mo5+ is bonded in a distorted single-bond geometry to one O2- and five Br1- atoms. The Mo–O bond length is 1.70 Å. There are a spread of Mo–Br bond distances ranging from 2.43–2.90 Å. O2- is bonded in a single-bond geometry to one Mo5+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Mo5+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom.

Publication Date:: 2020-04-30

Other Number(s):: mp-1198730

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-Mo-N-O; MoBr5N2O; crystal structure

OSTI Identifier:: 1680898

DOI:: https://doi.org/10.17188/1680898

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                    Materials Data on MoBr5N2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680898.

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                    Materials Data on MoBr5N2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1680898

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                    2020.  
"Materials Data on MoBr5N2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1680898.  https://www.osti.gov/servlets/purl/1680898. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1680898,

  title        = {Materials Data on MoBr5N2O by Materials Project},

  
  abstractNote = {MoOBr5N2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four MoOBr5 clusters. In each MoOBr5 cluster, Mo5+ is bonded in a distorted single-bond geometry to one O2- and five Br1- atoms. The Mo–O bond length is 1.70 Å. There are a spread of Mo–Br bond distances ranging from 2.43–2.90 Å. O2- is bonded in a single-bond geometry to one Mo5+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Mo5+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom.},

  doi          = {10.17188/1680898},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1680898

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