Materials Data on Be2Cr by Materials Project

doi:10.17188/1204846

Title: Materials Data on Be2Cr by Materials Project

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Abstract

Be2Cr 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 Be and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing BeBe6Cr6 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.06–2.14 Å. There are two shorter (2.45 Å) and four longer (2.47 Å) Be–Cr bond lengths. In the second Be site, Be is bonded to six equivalent Be and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing BeBe6Cr6 cuboctahedra. All Be–Cr bond lengths are 2.46 Å. Cr is bonded in a 12-coordinate geometry to twelve Be and four equivalent Cr atoms. There are three shorter (2.56 Å) and one longer (2.62 Å) Cr–Cr bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-30438

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; Be2Cr; Be-Cr

OSTI Identifier:: 1204846

DOI:: https://doi.org/10.17188/1204846

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                    The Materials Project. Materials Data on Be2Cr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204846.

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                    The Materials Project. Materials Data on Be2Cr by Materials Project.  United States.  doi:https://doi.org/10.17188/1204846

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                    The Materials Project. 2020.  
"Materials Data on Be2Cr by Materials Project".  United States.  doi:https://doi.org/10.17188/1204846.  https://www.osti.gov/servlets/purl/1204846. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204846,

  title        = {Materials Data on Be2Cr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be2Cr 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 Be and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing BeBe6Cr6 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.06–2.14 Å. There are two shorter (2.45 Å) and four longer (2.47 Å) Be–Cr bond lengths. In the second Be site, Be is bonded to six equivalent Be and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing BeBe6Cr6 cuboctahedra. All Be–Cr bond lengths are 2.46 Å. Cr is bonded in a 12-coordinate geometry to twelve Be and four equivalent Cr atoms. There are three shorter (2.56 Å) and one longer (2.62 Å) Cr–Cr bond lengths.},

  doi          = {10.17188/1204846},

  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/10.17188/1204846

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