Materials Data on Be2Fe by Materials Project

doi:10.17188/1197461

Title: Materials Data on Be2Fe by Materials Project

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Abstract

FeBe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. All Be–Be bond lengths are 2.10 Å. All Be–Fe bond lengths are 2.46 Å. In the second Be site, Be is bonded to six Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. There are two shorter (2.05 Å) and two longer (2.14 Å) Be–Be bond lengths. There are two shorter (2.43 Å) and four longer (2.45 Å) Be–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to twelve Be and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.56 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-2225

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; Be2Fe; Be-Fe

OSTI Identifier:: 1197461

DOI:: https://doi.org/10.17188/1197461

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                    The Materials Project. Materials Data on Be2Fe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197461.

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                    The Materials Project. Materials Data on Be2Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1197461

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                    The Materials Project. 2020.  
"Materials Data on Be2Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1197461.  https://www.osti.gov/servlets/purl/1197461. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197461,

  title        = {Materials Data on Be2Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeBe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. All Be–Be bond lengths are 2.10 Å. All Be–Fe bond lengths are 2.46 Å. In the second Be site, Be is bonded to six Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. There are two shorter (2.05 Å) and two longer (2.14 Å) Be–Be bond lengths. There are two shorter (2.43 Å) and four longer (2.45 Å) Be–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to twelve Be and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.56 Å.},

  doi          = {10.17188/1197461},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197461

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