Materials Data on RbOsNO3 by Materials Project

doi:10.17188/1689131

Title: Materials Data on RbOsNO3 by Materials Project

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Abstract

RbOsO3N crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to two equivalent N3- and six O2- atoms. There are one shorter (3.12 Å) and one longer (3.24 Å) Rb–N bond lengths. There are a spread of Rb–O bond distances ranging from 3.04–3.30 Å. Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is two shorter (1.76 Å) and one longer (1.77 Å) Os–O bond length. N3- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Os8+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Os8+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1219620

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; RbOsNO3; N-O-Os-Rb

OSTI Identifier:: 1689131

DOI:: https://doi.org/10.17188/1689131

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                    The Materials Project. Materials Data on RbOsNO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689131.

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                    The Materials Project. Materials Data on RbOsNO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689131

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                    The Materials Project. 2020.  
"Materials Data on RbOsNO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689131.  https://www.osti.gov/servlets/purl/1689131. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1689131,

  title        = {Materials Data on RbOsNO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbOsO3N crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to two equivalent N3- and six O2- atoms. There are one shorter (3.12 Å) and one longer (3.24 Å) Rb–N bond lengths. There are a spread of Rb–O bond distances ranging from 3.04–3.30 Å. Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is two shorter (1.76 Å) and one longer (1.77 Å) Os–O bond length. N3- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Os8+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Os8+ atom.},

  doi          = {10.17188/1689131},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1689131

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