Materials Data on Sr3OsN3 by Materials Project

doi:10.17188/1738683

Title: Materials Data on Sr3OsN3 by Materials Project

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Abstract

Sr3OsN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.70–2.93 Å. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.71–2.93 Å. In the third Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.70–2.92 Å. Os3+ is bonded in a trigonal planar geometry to three N3- atoms. All Os–N bond lengths are 1.87 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Os3+ atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedra tilt angles range from 17–45°. In the second N3- site, N3- is bonded to five Sr2+ and one Os3+ atommore »« less

Publication Date:: 2020-05-03

Other Number(s):: mp-1029686

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; N-Os-Sr; Sr3OsN3; crystal structure

OSTI Identifier:: 1738683

DOI:: https://doi.org/10.17188/1738683

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                    Materials Data on Sr3OsN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738683.

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                    Materials Data on Sr3OsN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738683

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                    2020.  
"Materials Data on Sr3OsN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738683.  https://www.osti.gov/servlets/purl/1738683. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1738683,

  title        = {Materials Data on Sr3OsN3 by Materials Project},

  
  abstractNote = {Sr3OsN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.70–2.93 Å. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.71–2.93 Å. In the third Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.70–2.92 Å. Os3+ is bonded in a trigonal planar geometry to three N3- atoms. All Os–N bond lengths are 1.87 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Os3+ atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedra tilt angles range from 17–45°. In the second N3- site, N3- is bonded to five Sr2+ and one Os3+ atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedra tilt angles range from 18–45°. In the third N3- site, N3- is bonded to five Sr2+ and one Os3+ atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedra tilt angles range from 18–45°.},

  doi          = {10.17188/1738683},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738683

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