Materials Data on Y2W2O9 by Materials Project

doi:10.17188/1299950

Title: Materials Data on Y2W2O9 by Materials Project

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Abstract

Y2W2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.77 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.61 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one W6+ atom. In the second O2- site, O2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-770639

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; Y2W2O9; O-W-Y

OSTI Identifier:: 1299950

DOI:: https://doi.org/10.17188/1299950

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                    The Materials Project. Materials Data on Y2W2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299950.

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                    The Materials Project. Materials Data on Y2W2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299950

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                    The Materials Project. 2020.  
"Materials Data on Y2W2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299950.  https://www.osti.gov/servlets/purl/1299950. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1299950,

  title        = {Materials Data on Y2W2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2W2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.77 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.61 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and two W6+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two W6+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two W6+ atoms. In the seventh O2- site, O2- is bonded to three Y3+ and one W6+ atom to form distorted edge-sharing OY3W tetrahedra. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom.},

  doi          = {10.17188/1299950},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1299950

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