Materials Data on Dy2WO6 by Materials Project

doi:10.17188/1299772

Title: Materials Data on Dy2WO6 by Materials Project

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Abstract

Dy2WO6 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with three equivalent WO6 octahedra, an edgeedge with one WO6 octahedra, and edges with three equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 17–34°. There are a spread of Dy–O bond distances ranging from 2.27–2.44 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.54 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with three equivalent DyO7 pentagonal bipyramids, and an edgeedge with one DyO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 47°. There are a spread of W–O bond distances ranging from 1.84–2.17 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 four Dy3+ atoms to form ODy4more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-770416

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:: 1299772

DOI:: https://doi.org/10.17188/1299772

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                    The Materials Project. Materials Data on Dy2WO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299772.

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                    The Materials Project. Materials Data on Dy2WO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299772

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                    The Materials Project. 2020.  
"Materials Data on Dy2WO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299772.  https://www.osti.gov/servlets/purl/1299772. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1299772,

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

  author       = {The Materials Project},

  abstractNote = {Dy2WO6 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with three equivalent WO6 octahedra, an edgeedge with one WO6 octahedra, and edges with three equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 17–34°. There are a spread of Dy–O bond distances ranging from 2.27–2.44 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.54 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with three equivalent DyO7 pentagonal bipyramids, and an edgeedge with one DyO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 47°. There are a spread of W–O bond distances ranging from 1.84–2.17 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 four Dy3+ atoms to form ODy4 tetrahedra that share corners with two equivalent ODy2W2 trigonal pyramids, edges with two equivalent ODy4 tetrahedra, and an edgeedge with one ODy2W2 trigonal pyramid. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 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 Dy3+ and one W6+ atom. In the sixth O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent W6+ atoms to form distorted ODy2W2 trigonal pyramids that share corners with two equivalent ODy4 tetrahedra, an edgeedge with one ODy4 tetrahedra, and edges with two equivalent ODy2W2 trigonal pyramids.},

  doi          = {10.17188/1299772},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1299772

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