Materials Data on NaReO2 by Materials Project

doi:10.17188/1741864

Title: Materials Data on NaReO2 by Materials Project

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Abstract

NaReO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.32–2.35 Å. Re3+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.01 Å) Re–O bond lengths. O2- is bonded to three equivalent Na1+ and two equivalent Re3+ atoms to form a mixture of distorted corner and edge-sharing ONa3Re2 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1210063

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; NaReO2; Na-O-Re

OSTI Identifier:: 1741864

DOI:: https://doi.org/10.17188/1741864

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                    The Materials Project. Materials Data on NaReO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741864.

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                    The Materials Project. Materials Data on NaReO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741864

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                    The Materials Project. 2020.  
"Materials Data on NaReO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741864.  https://www.osti.gov/servlets/purl/1741864. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1741864,

  title        = {Materials Data on NaReO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaReO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.32–2.35 Å. Re3+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.01 Å) Re–O bond lengths. O2- is bonded to three equivalent Na1+ and two equivalent Re3+ atoms to form a mixture of distorted corner and edge-sharing ONa3Re2 trigonal bipyramids.},

  doi          = {10.17188/1741864},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1741864

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