Materials Data on NaAsO2 by Materials Project

doi:10.17188/1269194

Title: Materials Data on NaAsO2 by Materials Project

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Abstract

NaAsO2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two NaAsO2 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.87 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.73–1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent As3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-556145

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; NaAsO2; As-Na-O

OSTI Identifier:: 1269194

DOI:: https://doi.org/10.17188/1269194

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                    The Materials Project. Materials Data on NaAsO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269194.

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                    The Materials Project. Materials Data on NaAsO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269194

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                    The Materials Project. 2020.  
"Materials Data on NaAsO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269194.  https://www.osti.gov/servlets/purl/1269194. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1269194,

  title        = {Materials Data on NaAsO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaAsO2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two NaAsO2 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.87 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.73–1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent As3+ atoms.},

  doi          = {10.17188/1269194},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269194

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