Materials Data on KOsBr4NO2 by Materials Project

doi:10.17188/1738966

Title: Materials Data on KOsBr4NO2 by Materials Project

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Abstract

KOsNO2(Br)4 is Cubane-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules and four KOsNO2 clusters. In each KOsNO2 cluster, K1+ is bonded in a distorted single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Os4+ is bonded in a linear geometry to one N3- and one O2- atom. The Os–N bond length is 1.91 Å. The Os–O bond length is 1.75 Å. N3- is bonded in a linear geometry to one Os4+ and one O2- atom. The N–O bond length is 1.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Os4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1106308

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; KOsBr4NO2; Br-K-N-O-Os

OSTI Identifier:: 1738966

DOI:: https://doi.org/10.17188/1738966

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                    The Materials Project. Materials Data on KOsBr4NO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738966.

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                    The Materials Project. Materials Data on KOsBr4NO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738966

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                    The Materials Project. 2020.  
"Materials Data on KOsBr4NO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738966.  https://www.osti.gov/servlets/purl/1738966. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1738966,

  title        = {Materials Data on KOsBr4NO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KOsNO2(Br)4 is Cubane-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules and four KOsNO2 clusters. In each KOsNO2 cluster, K1+ is bonded in a distorted single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Os4+ is bonded in a linear geometry to one N3- and one O2- atom. The Os–N bond length is 1.91 Å. The Os–O bond length is 1.75 Å. N3- is bonded in a linear geometry to one Os4+ and one O2- atom. The N–O bond length is 1.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Os4+ atom.},

  doi          = {10.17188/1738966},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738966

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