Materials Data on Na2WO6 by Materials Project

doi:10.17188/1718672

Title: Materials Data on Na2WO6 by Materials Project

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Abstract

(Na2WO5)2O2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Na2WO5 framework. In the Na2WO5 framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.26–2.84 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.78 Å. W is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of W–O bond distances ranging from 1.81–2.06 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Na and one W atom. In the second O site, O is bonded in a 2-coordinate geometry to two Na, one W, and one O atom. The O–O bond length is 1.48 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two Na and one W atom. In the fourth O site, O is bonded in a distorted T-shapedmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1181692

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; Na2WO6; Na-O-W

OSTI Identifier:: 1718672

DOI:: https://doi.org/10.17188/1718672

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                    The Materials Project. Materials Data on Na2WO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1718672.

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                    The Materials Project. Materials Data on Na2WO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718672

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                    The Materials Project. 2019.  
"Materials Data on Na2WO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718672.  https://www.osti.gov/servlets/purl/1718672. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1718672,

  title        = {Materials Data on Na2WO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Na2WO5)2O2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Na2WO5 framework. In the Na2WO5 framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.26–2.84 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.78 Å. W is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of W–O bond distances ranging from 1.81–2.06 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Na and one W atom. In the second O site, O is bonded in a 2-coordinate geometry to two Na, one W, and one O atom. The O–O bond length is 1.48 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two Na and one W atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two Na, one W, and one O atom.},

  doi          = {10.17188/1718672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1718672

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