Materials Data on Be22W by Materials Project

doi:10.17188/1204852

Title: Materials Data on Be22W by Materials Project

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Abstract

Be22W crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded to twelve Be atoms to form a mixture of edge, face, and corner-sharing BeBe12 cuboctahedra. There are six shorter (2.05 Å) and six longer (2.26 Å) Be–Be bond lengths. In the second Be site, Be is bonded in a distorted linear geometry to twelve equivalent Be and two equivalent W atoms. All Be–Be bond lengths are 2.46 Å. Both Be–W bond lengths are 2.50 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of distorted edge, face, and corner-sharing BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.19–2.29 Å. In the fourth Be site, Be is bonded to eleven Be and one W atom to form a mixture of distorted edge, face, and corner-sharing BeBe11W cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.13–2.35 Å. The Be–W bond length is 2.54 Å. W is bonded in a 4-coordinate geometry to sixteen Be atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-30444

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; Be22W; Be-W

OSTI Identifier:: 1204852

DOI:: https://doi.org/10.17188/1204852

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                    The Materials Project. Materials Data on Be22W by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204852.

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                    The Materials Project. Materials Data on Be22W by Materials Project.  United States.  doi:https://doi.org/10.17188/1204852

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                    The Materials Project. 2020.  
"Materials Data on Be22W by Materials Project".  United States.  doi:https://doi.org/10.17188/1204852.  https://www.osti.gov/servlets/purl/1204852. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1204852,

  title        = {Materials Data on Be22W by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be22W crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded to twelve Be atoms to form a mixture of edge, face, and corner-sharing BeBe12 cuboctahedra. There are six shorter (2.05 Å) and six longer (2.26 Å) Be–Be bond lengths. In the second Be site, Be is bonded in a distorted linear geometry to twelve equivalent Be and two equivalent W atoms. All Be–Be bond lengths are 2.46 Å. Both Be–W bond lengths are 2.50 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of distorted edge, face, and corner-sharing BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.19–2.29 Å. In the fourth Be site, Be is bonded to eleven Be and one W atom to form a mixture of distorted edge, face, and corner-sharing BeBe11W cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.13–2.35 Å. The Be–W bond length is 2.54 Å. W is bonded in a 4-coordinate geometry to sixteen Be atoms.},

  doi          = {10.17188/1204852},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204852

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