Materials Data on ZrFe4Si by Materials Project

doi:10.17188/1759422

Title: Materials Data on ZrFe4Si by Materials Project

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Abstract

ZrFe4Si crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Fe and four equivalent Si atoms. All Zr–Fe bond lengths are 2.78 Å. All Zr–Si bond lengths are 2.90 Å. Fe is bonded to three equivalent Zr, six equivalent Fe, and three equivalent Si atoms to form a mixture of edge, corner, and face-sharing FeZr3Fe6Si3 cuboctahedra. There are three shorter (2.34 Å) and three longer (2.40 Å) Fe–Fe bond lengths. All Fe–Si bond lengths are 2.78 Å. Si is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1215254

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; ZrFe4Si; Fe-Si-Zr

OSTI Identifier:: 1759422

DOI:: https://doi.org/10.17188/1759422

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                    The Materials Project. Materials Data on ZrFe4Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759422.

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                    The Materials Project. Materials Data on ZrFe4Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1759422

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                    The Materials Project. 2020.  
"Materials Data on ZrFe4Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1759422.  https://www.osti.gov/servlets/purl/1759422. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759422,

  title        = {Materials Data on ZrFe4Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrFe4Si crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Fe and four equivalent Si atoms. All Zr–Fe bond lengths are 2.78 Å. All Zr–Si bond lengths are 2.90 Å. Fe is bonded to three equivalent Zr, six equivalent Fe, and three equivalent Si atoms to form a mixture of edge, corner, and face-sharing FeZr3Fe6Si3 cuboctahedra. There are three shorter (2.34 Å) and three longer (2.40 Å) Fe–Fe bond lengths. All Fe–Si bond lengths are 2.78 Å. Si is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms.},

  doi          = {10.17188/1759422},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759422

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