Materials Data on Dy2W2O9 by Materials Project

doi:10.17188/1301416

Title: Materials Data on Dy2W2O9 by Materials Project

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Abstract

Dy2W2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.61 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.35–2.61 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.18 Å. In the second W6+ site, W6+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of W–O bond distances ranging from 1.84–1.94 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two W6+ atoms. In the third O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-772682

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; Dy2W2O9; Dy-O-W

OSTI Identifier:: 1301416

DOI:: https://doi.org/10.17188/1301416

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                    The Materials Project. Materials Data on Dy2W2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301416.

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                    The Materials Project. Materials Data on Dy2W2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301416

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                    The Materials Project. 2020.  
"Materials Data on Dy2W2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301416.  https://www.osti.gov/servlets/purl/1301416. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1301416,

  title        = {Materials Data on Dy2W2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2W2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.61 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.35–2.61 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.18 Å. In the second W6+ site, W6+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of W–O bond distances ranging from 1.84–1.94 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two W6+ atoms. In the third O2- site, O2- is bonded to three Dy3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing ODy3W trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+ and two W6+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one W6+ atom. In the seventh O2- site, O2- is bonded to three Dy3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing ODy3W tetrahedra. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom.},

  doi          = {10.17188/1301416},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1301416

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