Materials Data on Be12Cr by Materials Project

doi:10.17188/1191437

Title: Materials Data on Be12Cr by Materials Project

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Abstract

CrBe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Cr atoms. There are a spread of Be–Be bond distances ranging from 2.09–2.35 Å. Both Be–Cr bond lengths are 2.56 Å. In the second Be site, Be is bonded to ten Be and two equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Cr2 cuboctahedra. There are two shorter (2.06 Å) and four longer (2.19 Å) Be–Be bond lengths. Both Be–Cr bond lengths are 2.74 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Cr atom. The Be–Be bond length is 2.18 Å. The Be–Cr bond length is 2.50 Å. Cr is bonded in a 12-coordinate geometry to twenty Be atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1590

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; Be12Cr; Be-Cr

OSTI Identifier:: 1191437

DOI:: https://doi.org/10.17188/1191437

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                    The Materials Project. Materials Data on Be12Cr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191437.

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                    The Materials Project. Materials Data on Be12Cr by Materials Project.  United States.  doi:https://doi.org/10.17188/1191437

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                    The Materials Project. 2020.  
"Materials Data on Be12Cr by Materials Project".  United States.  doi:https://doi.org/10.17188/1191437.  https://www.osti.gov/servlets/purl/1191437. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191437,

  title        = {Materials Data on Be12Cr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrBe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Cr atoms. There are a spread of Be–Be bond distances ranging from 2.09–2.35 Å. Both Be–Cr bond lengths are 2.56 Å. In the second Be site, Be is bonded to ten Be and two equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Cr2 cuboctahedra. There are two shorter (2.06 Å) and four longer (2.19 Å) Be–Be bond lengths. Both Be–Cr bond lengths are 2.74 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Cr atom. The Be–Be bond length is 2.18 Å. The Be–Cr bond length is 2.50 Å. Cr is bonded in a 12-coordinate geometry to twenty Be atoms.},

  doi          = {10.17188/1191437},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191437

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