Materials Data on Na2W2O5 by Materials Project

doi:10.17188/1709475

Title: Materials Data on Na2W2O5 by Materials Project

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Abstract

Na2W2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.97 Å. There are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are four shorter (2.05 Å) and two longer (2.15 Å) W–O bond lengths. In the second W4+ site, W4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (2.00 Å) W–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and two equivalent W4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Na1+ and two W4+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and two equivalent W4+ atoms to form corner-sharing ONa2W2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1097724

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; Na2W2O5; Na-O-W

OSTI Identifier:: 1709475

DOI:: https://doi.org/10.17188/1709475

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                    The Materials Project. Materials Data on Na2W2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709475.

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                    The Materials Project. Materials Data on Na2W2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709475

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                    The Materials Project. 2020.  
"Materials Data on Na2W2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709475.  https://www.osti.gov/servlets/purl/1709475. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1709475,

  title        = {Materials Data on Na2W2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2W2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.97 Å. There are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are four shorter (2.05 Å) and two longer (2.15 Å) W–O bond lengths. In the second W4+ site, W4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (2.00 Å) W–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and two equivalent W4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Na1+ and two W4+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and two equivalent W4+ atoms to form corner-sharing ONa2W2 trigonal pyramids.},

  doi          = {10.17188/1709475},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1709475

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