Materials Data on NaHO by Materials Project

doi:10.17188/1199817

Title: Materials Data on NaHO by Materials Project

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Abstract

NaOH crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one NaOH sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to five equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.34–2.47 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Na1+ and one H1+ atom.

Publication Date:: 2020-07-16

Other Number(s):: mp-23940

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; H-Na-O; NaHO; crystal structure

OSTI Identifier:: 1199817

DOI:: https://doi.org/10.17188/1199817

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                    Materials Data on NaHO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199817.

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                    Materials Data on NaHO by Materials Project.  United States.  doi:https://doi.org/10.17188/1199817

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                    2020.  
"Materials Data on NaHO by Materials Project".  United States.  doi:https://doi.org/10.17188/1199817.  https://www.osti.gov/servlets/purl/1199817. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1199817,

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

  
  abstractNote = {NaOH crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one NaOH sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to five equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.34–2.47 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Na1+ and one H1+ atom.},

  doi          = {10.17188/1199817},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199817

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Materials Data on NaHO by Materials Project

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NaOH crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NaOH sheets oriented in the (0, 1, 0) direction. Na1+ is bonded to five equivalent O2- atoms to form a mixture of edge and corner-sharing NaO5 square pyramids. There are one shorter (2.33 Å) and four longer (2.44 Å) Na–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Na1+ and one H1+ atom.
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Materials Data on NaHO by Materials Project

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