Materials Data on NaCu3O4 by Materials Project

doi:10.17188/1290346

Title: Materials Data on NaCu3O4 by Materials Project

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Abstract

NaCu3O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.62–2.74 Å. There are three inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.90 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.89 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the third O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-756095

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; NaCu3O4; Cu-Na-O

OSTI Identifier:: 1290346

DOI:: https://doi.org/10.17188/1290346

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                    The Materials Project. Materials Data on NaCu3O4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1290346.

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                    The Materials Project. Materials Data on NaCu3O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290346

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                    The Materials Project. 2018.  
"Materials Data on NaCu3O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290346.  https://www.osti.gov/servlets/purl/1290346. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1290346,

  title        = {Materials Data on NaCu3O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCu3O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.62–2.74 Å. There are three inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.90 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.89 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids.},

  doi          = {10.17188/1290346},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1290346

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Materials Data on NaCu3O4 by Materials Project

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