Materials Data on OsBr3N5O by Materials Project

doi:10.17188/1689035

Title: Materials Data on OsBr3N5O by Materials Project

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Abstract

OsN5OBr2Br crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two hydrobromic acid molecules and two OsN5OBr2 sheets oriented in the (0, 0, 1) direction. In each OsN5OBr2 sheet, Os8+ is bonded in a square pyramidal geometry to five N3- atoms. There is one shorter (1.83 Å) and four longer (1.96 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Os8+ and two equivalent Br3+ atoms. Both N–Br bond lengths are 2.21 Å. O2- is bonded in a single-bond geometry to one N3- atom. Br3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1180015

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; OsBr3N5O; Br-N-O-Os

OSTI Identifier:: 1689035

DOI:: https://doi.org/10.17188/1689035

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                    The Materials Project. Materials Data on OsBr3N5O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689035.

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                    The Materials Project. Materials Data on OsBr3N5O by Materials Project.  United States.  doi:https://doi.org/10.17188/1689035

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                    The Materials Project. 2020.  
"Materials Data on OsBr3N5O by Materials Project".  United States.  doi:https://doi.org/10.17188/1689035.  https://www.osti.gov/servlets/purl/1689035. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1689035,

  title        = {Materials Data on OsBr3N5O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsN5OBr2Br crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two hydrobromic acid molecules and two OsN5OBr2 sheets oriented in the (0, 0, 1) direction. In each OsN5OBr2 sheet, Os8+ is bonded in a square pyramidal geometry to five N3- atoms. There is one shorter (1.83 Å) and four longer (1.96 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Os8+ and two equivalent Br3+ atoms. Both N–Br bond lengths are 2.21 Å. O2- is bonded in a single-bond geometry to one N3- atom. Br3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms.},

  doi          = {10.17188/1689035},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1689035

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