Materials Data on H5W by Materials Project

doi:10.17188/1678058

Title: Materials Data on H5W by Materials Project

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Abstract

WH5 crystallizes in the orthorhombic Pma2 space group. The structure is two-dimensional and consists of one WH5 sheet oriented in the (0, 1, 0) direction. W3+ is bonded in a 12-coordinate geometry to ten H+0.60- atoms. There are a spread of W–H bond distances ranging from 1.76–2.05 Å. There are three inequivalent H+0.60- sites. In the first H+0.60- site, H+0.60- is bonded in a water-like geometry to two equivalent W3+ atoms. In the second H+0.60- site, H+0.60- is bonded in a water-like geometry to two equivalent W3+ atoms. In the third H+0.60- site, H+0.60- is bonded in a 1-coordinate geometry to two equivalent W3+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1095646

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-W; H5W; crystal structure

OSTI Identifier:: 1678058

DOI:: https://doi.org/10.17188/1678058

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                    Materials Data on H5W by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678058.

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                    Materials Data on H5W by Materials Project.  United States.  doi:https://doi.org/10.17188/1678058

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                    2020.  
"Materials Data on H5W by Materials Project".  United States.  doi:https://doi.org/10.17188/1678058.  https://www.osti.gov/servlets/purl/1678058. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1678058,

  title        = {Materials Data on H5W by Materials Project},

  
  abstractNote = {WH5 crystallizes in the orthorhombic Pma2 space group. The structure is two-dimensional and consists of one WH5 sheet oriented in the (0, 1, 0) direction. W3+ is bonded in a 12-coordinate geometry to ten H+0.60- atoms. There are a spread of W–H bond distances ranging from 1.76–2.05 Å. There are three inequivalent H+0.60- sites. In the first H+0.60- site, H+0.60- is bonded in a water-like geometry to two equivalent W3+ atoms. In the second H+0.60- site, H+0.60- is bonded in a water-like geometry to two equivalent W3+ atoms. In the third H+0.60- site, H+0.60- is bonded in a 1-coordinate geometry to two equivalent W3+ atoms.},

  doi          = {10.17188/1678058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678058

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