Materials Data on Na3CuO2 by Materials Project

doi:10.17188/1289353

Title: Materials Data on Na3CuO2 by Materials Project

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Abstract

Na3CuO2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.50 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.41 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.88 Å. O2- is bonded in a 7-coordinate geometry to six Na1+ and one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-754352

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; Na3CuO2; Cu-Na-O

OSTI Identifier:: 1289353

DOI:: https://doi.org/10.17188/1289353

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                    The Materials Project. Materials Data on Na3CuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289353.

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                    The Materials Project. Materials Data on Na3CuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289353

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                    The Materials Project. 2020.  
"Materials Data on Na3CuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289353.  https://www.osti.gov/servlets/purl/1289353. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1289353,

  title        = {Materials Data on Na3CuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3CuO2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.50 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.41 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.88 Å. O2- is bonded in a 7-coordinate geometry to six Na1+ and one Cu1+ atom.},

  doi          = {10.17188/1289353},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289353

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