Materials Data on Na2CuO2 by Materials Project

doi:10.17188/1290281

Title: Materials Data on Na2CuO2 by Materials Project

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Abstract

Na2CuO2 is Ilmenite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. All Na–O bond lengths are 2.33 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Na1+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing ONa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–28°.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-755974

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; Na2CuO2; Cu-Na-O

OSTI Identifier:: 1290281

DOI:: https://doi.org/10.17188/1290281

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                    The Materials Project. Materials Data on Na2CuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290281.

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                    The Materials Project. Materials Data on Na2CuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290281

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                    The Materials Project. 2020.  
"Materials Data on Na2CuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290281.  https://www.osti.gov/servlets/purl/1290281. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1290281,

  title        = {Materials Data on Na2CuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2CuO2 is Ilmenite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. All Na–O bond lengths are 2.33 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Na1+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing ONa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–28°.},

  doi          = {10.17188/1290281},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290281

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