Materials Data on MoWO6 by Materials Project

doi:10.17188/1321226

Title: Materials Data on MoWO6 by Materials Project

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Abstract

WMoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All W–O bond lengths are 1.93 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Mo–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one W6+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Mo6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mvc-5033

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; MoWO6; Mo-O-W

OSTI Identifier:: 1321226

DOI:: https://doi.org/10.17188/1321226

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                    The Materials Project. Materials Data on MoWO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1321226.

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                    The Materials Project. Materials Data on MoWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1321226

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                    The Materials Project. 2020.  
"Materials Data on MoWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1321226.  https://www.osti.gov/servlets/purl/1321226. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1321226,

  title        = {Materials Data on MoWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WMoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All W–O bond lengths are 1.93 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Mo–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one W6+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Mo6+ atom.},

  doi          = {10.17188/1321226},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1321226

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