Materials Data on NaCu(IO2)2 by Materials Project

doi:10.17188/1719485

Title: Materials Data on NaCu(IO2)2 by Materials Project

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Abstract

NaO4Cu(I)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four cuprum molecules; eight hydriodic acid molecules; and two NaO4 ribbons oriented in the (0, 0, 1) direction. In each NaO4 ribbon, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.57–3.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one O2- atom. The O–O bond length is 1.27 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Na1+ and one O2- atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1179909

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; NaCu(IO2)2; Cu-I-Na-O

OSTI Identifier:: 1719485

DOI:: https://doi.org/10.17188/1719485

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                    The Materials Project. Materials Data on NaCu(IO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719485.

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                    The Materials Project. Materials Data on NaCu(IO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719485

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                    The Materials Project. 2020.  
"Materials Data on NaCu(IO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719485.  https://www.osti.gov/servlets/purl/1719485. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1719485,

  title        = {Materials Data on NaCu(IO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaO4Cu(I)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four cuprum molecules; eight hydriodic acid molecules; and two NaO4 ribbons oriented in the (0, 0, 1) direction. In each NaO4 ribbon, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.57–3.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one O2- atom. The O–O bond length is 1.27 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Na1+ and one O2- atom.},

  doi          = {10.17188/1719485},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1719485

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