Materials Data on SBr2O by Materials Project

doi:10.17188/1202524

Title: Materials Data on SBr2O by Materials Project

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Abstract

SOBr2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight thionyl bromide molecules. S2- is bonded in a distorted single-bond geometry to one O2- and two Br2+ atoms. The S–O bond length is 1.46 Å. There are one shorter (2.28 Å) and one longer (2.31 Å) S–Br bond lengths. O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent Br2+ sites. In the first Br2+ site, Br2+ is bonded in a single-bond geometry to one S2- atom. In the second Br2+ site, Br2+ is bonded in a single-bond geometry to one S2- atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-28407

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; SBr2O; Br-O-S

OSTI Identifier:: 1202524

DOI:: https://doi.org/10.17188/1202524

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                    The Materials Project. Materials Data on SBr2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202524.

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                    The Materials Project. Materials Data on SBr2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1202524

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                    The Materials Project. 2020.  
"Materials Data on SBr2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1202524.  https://www.osti.gov/servlets/purl/1202524. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1202524,

  title        = {Materials Data on SBr2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SOBr2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight thionyl bromide molecules. S2- is bonded in a distorted single-bond geometry to one O2- and two Br2+ atoms. The S–O bond length is 1.46 Å. There are one shorter (2.28 Å) and one longer (2.31 Å) S–Br bond lengths. O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent Br2+ sites. In the first Br2+ site, Br2+ is bonded in a single-bond geometry to one S2- atom. In the second Br2+ site, Br2+ is bonded in a single-bond geometry to one S2- atom.},

  doi          = {10.17188/1202524},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1202524

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