Materials Data on NaIO4 by Materials Project

doi:10.17188/1664056

Title: Materials Data on NaIO4 by Materials Project

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Abstract

NaIO4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one NaIO4 sheet oriented in the (0, 0, 1) direction. Na is bonded to seven O atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.31–2.76 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one I atom to form a mixture of distorted edge and corner-sharing ONa3I trigonal pyramids. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fourth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. I is bonded in a distorted trigonal non-coplanar geometry to three O atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1103574

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; NaIO4; I-Na-O

OSTI Identifier:: 1664056

DOI:: https://doi.org/10.17188/1664056

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                    The Materials Project. Materials Data on NaIO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664056.

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                    The Materials Project. Materials Data on NaIO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664056

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                    The Materials Project. 2020.  
"Materials Data on NaIO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664056.  https://www.osti.gov/servlets/purl/1664056. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1664056,

  title        = {Materials Data on NaIO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaIO4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one NaIO4 sheet oriented in the (0, 0, 1) direction. Na is bonded to seven O atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.31–2.76 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one I atom to form a mixture of distorted edge and corner-sharing ONa3I trigonal pyramids. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fourth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. I is bonded in a distorted trigonal non-coplanar geometry to three O atoms.},

  doi          = {10.17188/1664056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1664056

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