Materials Data on Na3CuO2 by Materials Project

doi:10.17188/1289353

Title: Materials Data on Na3CuO2 by Materials Project

Dataset
Other Related Research

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.

Publication Date:: 2020-07-22

Other Number(s):: mp-754352

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; Cu-Na-O; Na3CuO2; crystal structure

OSTI Identifier:: 1289353

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

Citation Formats


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

Copy to clipboard


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

Copy to clipboard


                    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 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1289353,

  title        = {Materials Data on Na3CuO2 by 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}

}

Copy to clipboard

Dataset:

View Dataset

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

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Na3CuO2 by Materials Project

Dataset

Na3CuO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.50 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.24 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. O2- is bonded to five Na1+ and one Cu1+more »« less
Materials Data on Na3CuO2 by Materials Project

Dataset

Na3CuO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.83 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.59 Å. In the third Na1+ site, Na1+ is bonded to four O2- atoms to form corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances rangingmore »« less
Materials Data on Na3CuO2 by Materials Project

Dataset

Na3CuO2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.39 Å) and two longer (2.61 Å) Na–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.81 Å. O2- is bonded in a 7-coordinate geometry to six equivalent Na1+ and one Cu1+ atom.
Materials Data on Na3CuO2 by Materials Project

Dataset

Na3CuO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are twelve inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.35–2.60 Å. In the second Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.51 Å. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.more »« less
Materials Data on Na3CuO2 by Materials Project

Dataset

Na3CuO2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing NaO4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.57 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.47–2.54 Å. In the third Na1+ site, Na1+ is bonded to four O2-more »« less

Similar Records