Materials Data on As2W by Materials Project

doi:10.17188/1685549

Title: Materials Data on As2W by Materials Project

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Abstract

WAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of W–As bond distances ranging from 2.61–2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 5-coordinate geometry to five equivalent W6+ atoms. In the second As3- site, As3- is bonded in a 4-coordinate geometry to three equivalent W6+ and three equivalent As3- atoms. There are one shorter (2.46 Å) and two longer (2.76 Å) As–As bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-1077179

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; As2W; As-W

OSTI Identifier:: 1685549

DOI:: https://doi.org/10.17188/1685549

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                    The Materials Project. Materials Data on As2W by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685549.

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                    The Materials Project. Materials Data on As2W by Materials Project.  United States.  doi:https://doi.org/10.17188/1685549

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                    The Materials Project. 2020.  
"Materials Data on As2W by Materials Project".  United States.  doi:https://doi.org/10.17188/1685549.  https://www.osti.gov/servlets/purl/1685549. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685549,

  title        = {Materials Data on As2W by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of W–As bond distances ranging from 2.61–2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 5-coordinate geometry to five equivalent W6+ atoms. In the second As3- site, As3- is bonded in a 4-coordinate geometry to three equivalent W6+ and three equivalent As3- atoms. There are one shorter (2.46 Å) and two longer (2.76 Å) As–As bond lengths.},

  doi          = {10.17188/1685549},

  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/10.17188/1685549

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