Materials Data on Mo2W2O5 by Materials Project

doi:10.17188/1721981

Title: Materials Data on Mo2W2O5 by Materials Project

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Abstract

WWMo2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one tungsten molecule and one WMo2O5 sheet oriented in the (0, 0, 1) direction. In the WMo2O5 sheet, W2+ is bonded in a distorted body-centered cubic geometry to twelve O2- atoms. There are eight shorter (2.32 Å) and four longer (2.61 Å) W–O bond lengths. Mo3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.05 Å) and one longer (2.30 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent W2+, two equivalent Mo3+, and two equivalent O2- atoms to form a mixture of distorted corner, edge, and face-sharing OMo2W2O2 tetrahedra. Both O–O bond lengths are 2.32 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent W2+, two equivalent Mo3+, and eight equivalent O2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186090

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; Mo2W2O5; Mo-O-W

OSTI Identifier:: 1721981

DOI:: https://doi.org/10.17188/1721981

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                    The Materials Project. Materials Data on Mo2W2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721981.

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                    The Materials Project. Materials Data on Mo2W2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721981

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                    The Materials Project. 2020.  
"Materials Data on Mo2W2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721981.  https://www.osti.gov/servlets/purl/1721981. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721981,

  title        = {Materials Data on Mo2W2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WWMo2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one tungsten molecule and one WMo2O5 sheet oriented in the (0, 0, 1) direction. In the WMo2O5 sheet, W2+ is bonded in a distorted body-centered cubic geometry to twelve O2- atoms. There are eight shorter (2.32 Å) and four longer (2.61 Å) W–O bond lengths. Mo3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.05 Å) and one longer (2.30 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent W2+, two equivalent Mo3+, and two equivalent O2- atoms to form a mixture of distorted corner, edge, and face-sharing OMo2W2O2 tetrahedra. Both O–O bond lengths are 2.32 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent W2+, two equivalent Mo3+, and eight equivalent O2- atoms.},

  doi          = {10.17188/1721981},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721981

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