Materials Data on Na3OsO5 by Materials Project

doi:10.17188/1268822

Title: Materials Data on Na3OsO5 by Materials Project

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Abstract

Na3OsO5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.79 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 pentagonal pyramids and corners with six equivalent OsO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.33–2.79 Å. Os7+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Os–O bond distances ranging from 1.79–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded to three Na1+ and one Os7+ atom to form distorted corner-sharing ONa3Os tetrahedra.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-555476

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; Na3OsO5; Na-O-Os

OSTI Identifier:: 1268822

DOI:: https://doi.org/10.17188/1268822

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                    The Materials Project. Materials Data on Na3OsO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268822.

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                    The Materials Project. Materials Data on Na3OsO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268822

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                    The Materials Project. 2020.  
"Materials Data on Na3OsO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268822.  https://www.osti.gov/servlets/purl/1268822. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1268822,

  title        = {Materials Data on Na3OsO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3OsO5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.79 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 pentagonal pyramids and corners with six equivalent OsO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.33–2.79 Å. Os7+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Os–O bond distances ranging from 1.79–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded to three Na1+ and one Os7+ atom to form distorted corner-sharing ONa3Os tetrahedra.},

  doi          = {10.17188/1268822},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268822

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