Materials Data on LiYb(WO4)2 by Materials Project

doi:10.17188/1759313

Title: Materials Data on LiYb(WO4)2 by Materials Project

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Abstract

LiYb(WO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.09–2.71 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Yb–O bond distances ranging from 2.29–2.35 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent YbO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of W–O bond distances ranging from 1.81–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Yb3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Yb3+, and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent W6+ atoms. In the fourth O2- site, O2- ismore »« less

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1180482

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Li-O-W-Yb; LiYb(WO4)2; crystal structure

OSTI Identifier:: 1759313

DOI:: https://doi.org/10.17188/1759313

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                    Materials Data on LiYb(WO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759313.

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                    Materials Data on LiYb(WO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759313

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                    2020.  
"Materials Data on LiYb(WO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759313.  https://www.osti.gov/servlets/purl/1759313. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759313,

  title        = {Materials Data on LiYb(WO4)2 by Materials Project},

  
  abstractNote = {LiYb(WO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.09–2.71 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Yb–O bond distances ranging from 2.29–2.35 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent YbO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of W–O bond distances ranging from 1.81–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Yb3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Yb3+, and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Yb3+ and two equivalent W6+ atoms.},

  doi          = {10.17188/1759313},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1759313

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Materials Data on LiYb(WO4)2 by Materials Project

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