Materials Data on Ga2WO6 by Materials Project

doi:10.17188/1300058

Title: Materials Data on Ga2WO6 by Materials Project

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Abstract

WGa2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent GaO6 octahedra and edges with two equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There is four shorter (1.95 Å) and two longer (1.97 Å) W–O bond length. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with four equivalent WO6 octahedra, corners with four equivalent GaO6 octahedra, an edgeedge with one WO6 octahedra, and an edgeedge with one GaO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Ga–O bond distances ranging from 1.98–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-770737

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; Ga2WO6; Ga-O-W

OSTI Identifier:: 1300058

DOI:: https://doi.org/10.17188/1300058

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                    The Materials Project. Materials Data on Ga2WO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300058.

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                    The Materials Project. Materials Data on Ga2WO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300058

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                    The Materials Project. 2020.  
"Materials Data on Ga2WO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300058.  https://www.osti.gov/servlets/purl/1300058. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1300058,

  title        = {Materials Data on Ga2WO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WGa2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent GaO6 octahedra and edges with two equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There is four shorter (1.95 Å) and two longer (1.97 Å) W–O bond length. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with four equivalent WO6 octahedra, corners with four equivalent GaO6 octahedra, an edgeedge with one WO6 octahedra, and an edgeedge with one GaO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Ga–O bond distances ranging from 1.98–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Ga3+ atoms.},

  doi          = {10.17188/1300058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1300058

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