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.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-23940

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; NaHO; H-Na-O

OSTI Identifier:: 1199817

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

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

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

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                    The Materials Project. 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 00:00:00 EDT 2020

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@article{osti_1199817,

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

  author       = {The 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         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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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 monoclinic P2_1 space group. The structure is two-dimensional and consists of one NaOH sheet oriented in the (0, 0, 1) direction. Na1+ is bonded in a 5-coordinate geometry to two equivalent H1+ and five equivalent O2- atoms. There are one shorter (2.57 Å) and one longer (2.63 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.54 Å. H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to five equivalentmore » Na1+ and one H1+ atom.« less

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