Materials Data on ZrBeSi by Materials Project

doi:10.17188/1186811

Title: Materials Data on ZrBeSi by Materials Project

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Abstract

ZrBeSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Be–Si bond lengths are 2.16 Å. Zr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing ZrSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Zr–Si bond lengths are 2.82 Å. Si4- is bonded in a distorted trigonal planar geometry to three equivalent Be2+ and six equivalent Zr2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-10200

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; ZrBeSi; Be-Si-Zr

OSTI Identifier:: 1186811

DOI:: https://doi.org/10.17188/1186811

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                    The Materials Project. Materials Data on ZrBeSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186811.

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                    The Materials Project. Materials Data on ZrBeSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1186811

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                    The Materials Project. 2020.  
"Materials Data on ZrBeSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1186811.  https://www.osti.gov/servlets/purl/1186811. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1186811,

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

  author       = {The Materials Project},

  abstractNote = {ZrBeSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Be–Si bond lengths are 2.16 Å. Zr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing ZrSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Zr–Si bond lengths are 2.82 Å. Si4- is bonded in a distorted trigonal planar geometry to three equivalent Be2+ and six equivalent Zr2+ atoms.},

  doi          = {10.17188/1186811},

  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/10.17188/1186811

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