Materials Data on Dy2WO6 by Materials Project

doi:10.17188/1307640

Title: Materials Data on Dy2WO6 by Materials Project

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Abstract

Dy2WO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.19–2.64 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.28–2.47 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.78 Å. W6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Dy3+ and one W6+ atom to form ODy3W tetrahedra that share corners with six ODy3W tetrahedra and an edgeedge with one ODy4 tetrahedra. In the third O2- site, O2- is bonded to four Dy3+ atoms to formmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-782639

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; Dy2WO6; Dy-O-W

OSTI Identifier:: 1307640

DOI:: https://doi.org/10.17188/1307640

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                    The Materials Project. Materials Data on Dy2WO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307640.

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                    The Materials Project. Materials Data on Dy2WO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307640

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                    The Materials Project. 2020.  
"Materials Data on Dy2WO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307640.  https://www.osti.gov/servlets/purl/1307640. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1307640,

  title        = {Materials Data on Dy2WO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2WO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.19–2.64 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.28–2.47 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.78 Å. W6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Dy3+ and one W6+ atom to form ODy3W tetrahedra that share corners with six ODy3W tetrahedra and an edgeedge with one ODy4 tetrahedra. In the third O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with six ODy3W tetrahedra and edges with four ODy4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Dy3+ and one W6+ atom.},

  doi          = {10.17188/1307640},

  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/10.17188/1307640

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