Materials Data on Zr(Fe2Si)2 by Materials Project

doi:10.17188/1194991

Title: Materials Data on Zr(Fe2Si)2 by Materials Project

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Abstract

ZrFe4Si2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.03 Å) and eight longer (3.13 Å) Zr–Fe bond lengths. There are two shorter (2.77 Å) and four longer (2.83 Å) Zr–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Zr, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.58 Å. There are one shorter (2.31 Å) and two longer (2.35 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Fe atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-19792

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Fe-Si-Zr; Zr(Fe2Si)2; crystal structure

OSTI Identifier:: 1194991

DOI:: https://doi.org/10.17188/1194991

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                    Materials Data on Zr(Fe2Si)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194991.

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                    Materials Data on Zr(Fe2Si)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194991

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                    2020.  
"Materials Data on Zr(Fe2Si)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194991.  https://www.osti.gov/servlets/purl/1194991. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1194991,

  title        = {Materials Data on Zr(Fe2Si)2 by Materials Project},

  
  abstractNote = {ZrFe4Si2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.03 Å) and eight longer (3.13 Å) Zr–Fe bond lengths. There are two shorter (2.77 Å) and four longer (2.83 Å) Zr–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Zr, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.58 Å. There are one shorter (2.31 Å) and two longer (2.35 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Fe atoms.},

  doi          = {10.17188/1194991},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1194991

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