Materials Data on Be12Nb by Materials Project

doi:10.17188/1274803

Title: Materials Data on Be12Nb by Materials Project

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Abstract

Be12Nb 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 Nb atoms. There are a spread of Be–Be bond distances ranging from 2.13–2.34 Å. Both Be–Nb bond lengths are 2.64 Å. In the second Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Nb atom. There are one shorter (2.16 Å) and four longer (2.24 Å) Be–Be bond lengths. The Be–Nb bond length is 2.58 Å. In the third Be site, Be is bonded to ten Be and two equivalent Nb atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Nb2 cuboctahedra. Both Be–Be bond lengths are 2.11 Å. Both Be–Nb bond lengths are 2.79 Å. Nb is bonded in a 12-coordinate geometry to twenty Be atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-568912

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; Be12Nb; Be-Nb

OSTI Identifier:: 1274803

DOI:: https://doi.org/10.17188/1274803

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                    The Materials Project. Materials Data on Be12Nb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274803.

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                    The Materials Project. Materials Data on Be12Nb by Materials Project.  United States.  doi:https://doi.org/10.17188/1274803

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                    The Materials Project. 2020.  
"Materials Data on Be12Nb by Materials Project".  United States.  doi:https://doi.org/10.17188/1274803.  https://www.osti.gov/servlets/purl/1274803. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274803,

  title        = {Materials Data on Be12Nb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be12Nb 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 Nb atoms. There are a spread of Be–Be bond distances ranging from 2.13–2.34 Å. Both Be–Nb bond lengths are 2.64 Å. In the second Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Nb atom. There are one shorter (2.16 Å) and four longer (2.24 Å) Be–Be bond lengths. The Be–Nb bond length is 2.58 Å. In the third Be site, Be is bonded to ten Be and two equivalent Nb atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Nb2 cuboctahedra. Both Be–Be bond lengths are 2.11 Å. Both Be–Nb bond lengths are 2.79 Å. Nb is bonded in a 12-coordinate geometry to twenty Be atoms.},

  doi          = {10.17188/1274803},

  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/10.17188/1274803

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