Materials Data on H(WO3)4 by Materials Project

doi:10.17188/1665018

Title: Materials Data on H(WO3)4 by Materials Project

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Abstract

(WO3)8H2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two dihydrogen molecules and one WO3 framework. In the WO3 framework, W+5.75+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.83–2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms.

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

Other Number(s):: mp-1224441

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; H(WO3)4; H-O-W; crystal structure

OSTI Identifier:: 1665018

DOI:: https://doi.org/10.17188/1665018

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                    Materials Data on H(WO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665018.

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                    Materials Data on H(WO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1665018

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                    2020.  
"Materials Data on H(WO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1665018.  https://www.osti.gov/servlets/purl/1665018. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1665018,

  title        = {Materials Data on H(WO3)4 by Materials Project},

  
  abstractNote = {(WO3)8H2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two dihydrogen molecules and one WO3 framework. In the WO3 framework, W+5.75+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.83–2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms.},

  doi          = {10.17188/1665018},

  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/10.17188/1665018

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