Materials Data on BrO2F by Materials Project

doi:10.17188/1207158

Title: Materials Data on BrO2F by Materials Project

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Abstract

O2BrF is Ammonia-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four O2BrF clusters. there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. Br5+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. The Br–F bond length is 1.89 Å. F1- is bonded in a single-bond geometry to one Br5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-36262

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; BrO2F; Br-F-O

OSTI Identifier:: 1207158

DOI:: https://doi.org/10.17188/1207158

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                    The Materials Project. Materials Data on BrO2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207158.

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                    The Materials Project. Materials Data on BrO2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1207158

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                    The Materials Project. 2020.  
"Materials Data on BrO2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1207158.  https://www.osti.gov/servlets/purl/1207158. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1207158,

  title        = {Materials Data on BrO2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {O2BrF is Ammonia-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four O2BrF clusters. there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. Br5+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. The Br–F bond length is 1.89 Å. F1- is bonded in a single-bond geometry to one Br5+ atom.},

  doi          = {10.17188/1207158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207158

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