Materials Data on Be22Re by Materials Project

doi:10.17188/1275060

Title: Materials Data on Be22Re by Materials Project

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Abstract

Be22Re 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 distorted face, edge, and corner-sharing BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.04–2.27 Å. In the second Be site, Be is bonded to eleven Be and one Re atom to form BeBe11Re cuboctahedra that share corners with twenty-three BeBe12 cuboctahedra, edges with five BeBe11Re cuboctahedra, and faces with twenty-three BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.13–2.45 Å. The Be–Re bond length is 2.53 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of face, edge, and corner-sharing BeBe12 cuboctahedra. In the fourth Be site, Be is bonded in a 2-coordinate geometry to twelve equivalent Be and two equivalent Re atoms. Both Be–Re bond lengths are 2.49 Å. Re is bonded in a 4-coordinate geometry to sixteen Be atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-569364

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; Be22Re; Be-Re

OSTI Identifier:: 1275060

DOI:: https://doi.org/10.17188/1275060

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                    The Materials Project. Materials Data on Be22Re by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275060.

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                    The Materials Project. Materials Data on Be22Re by Materials Project.  United States.  doi:https://doi.org/10.17188/1275060

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                    The Materials Project. 2020.  
"Materials Data on Be22Re by Materials Project".  United States.  doi:https://doi.org/10.17188/1275060.  https://www.osti.gov/servlets/purl/1275060. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1275060,

  title        = {Materials Data on Be22Re by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be22Re 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 distorted face, edge, and corner-sharing BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.04–2.27 Å. In the second Be site, Be is bonded to eleven Be and one Re atom to form BeBe11Re cuboctahedra that share corners with twenty-three BeBe12 cuboctahedra, edges with five BeBe11Re cuboctahedra, and faces with twenty-three BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.13–2.45 Å. The Be–Re bond length is 2.53 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of face, edge, and corner-sharing BeBe12 cuboctahedra. In the fourth Be site, Be is bonded in a 2-coordinate geometry to twelve equivalent Be and two equivalent Re atoms. Both Be–Re bond lengths are 2.49 Å. Re is bonded in a 4-coordinate geometry to sixteen Be atoms.},

  doi          = {10.17188/1275060},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275060

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