Materials Data on NaCu3O2 by Materials Project

doi:10.17188/1732939

Title: Materials Data on NaCu3O2 by Materials Project

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Abstract

NaCu3O2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form distorted edge-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.31 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.90 Å. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.87 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1101713

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; NaCu3O2; Cu-Na-O

OSTI Identifier:: 1732939

DOI:: https://doi.org/10.17188/1732939

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                    The Materials Project. Materials Data on NaCu3O2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1732939.

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                    The Materials Project. Materials Data on NaCu3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732939

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                    The Materials Project. 2018.  
"Materials Data on NaCu3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732939.  https://www.osti.gov/servlets/purl/1732939. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1732939,

  title        = {Materials Data on NaCu3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCu3O2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form distorted edge-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.31 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.90 Å. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.87 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Cu1+ atoms.},

  doi          = {10.17188/1732939},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1732939

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