Materials Data on Be22Mo by Materials Project

doi:10.17188/1204848

Title: Materials Data on Be22Mo by Materials Project

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Abstract

Be22Mo 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 face, edge, and corner-sharing BeBe12 cuboctahedra. There are six shorter (2.05 Å) and six longer (2.25 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 Mo atoms. All Be–Be bond lengths are 2.46 Å. Both Be–Mo bond lengths are 2.50 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of distorted face, edge, 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 Mo atom to form a mixture of face, edge, and corner-sharing BeBe11Mo cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.14–2.35 Å. The Be–Mo bond length is 2.54 Å. Mo is bonded in a 4-coordinate geometry to sixteen Be atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 21 00:00:00 EDT 2020

Other Number(s):: mp-30440

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; Be22Mo; Be-Mo

OSTI Identifier:: 1204848

DOI:: https://doi.org/10.17188/1204848

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                    The Materials Project. Materials Data on Be22Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204848.

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                    The Materials Project. Materials Data on Be22Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1204848

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                    The Materials Project. 2020.  
"Materials Data on Be22Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1204848.  https://www.osti.gov/servlets/purl/1204848. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1204848,

  title        = {Materials Data on Be22Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be22Mo 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 face, edge, and corner-sharing BeBe12 cuboctahedra. There are six shorter (2.05 Å) and six longer (2.25 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 Mo atoms. All Be–Be bond lengths are 2.46 Å. Both Be–Mo bond lengths are 2.50 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of distorted face, edge, 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 Mo atom to form a mixture of face, edge, and corner-sharing BeBe11Mo cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.14–2.35 Å. The Be–Mo bond length is 2.54 Å. Mo is bonded in a 4-coordinate geometry to sixteen Be atoms.},

  doi          = {10.17188/1204848},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 21 00:00:00 EDT 2020},

  month        = {Tue Jul 21 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204848

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