Materials Data on Cr3Fe by Materials Project

doi:10.17188/1325028

Title: Materials Data on Cr3Fe by Materials Project

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Abstract

Cr3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms. All Cr–Cr bond lengths are 2.47 Å. All Cr–Fe bond lengths are 2.47 Å. In the second Cr site, Cr is bonded in a 8-coordinate geometry to eight equivalent Cr and six equivalent Fe atoms. All Cr–Fe bond lengths are 2.85 Å. Fe is bonded in a distorted body-centered cubic geometry to fourteen Cr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1008282

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; Cr3Fe; Cr-Fe

OSTI Identifier:: 1325028

DOI:: https://doi.org/10.17188/1325028

Citation Formats


                    The Materials Project. Materials Data on Cr3Fe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325028.

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                    The Materials Project. Materials Data on Cr3Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1325028

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                    The Materials Project. 2020.  
"Materials Data on Cr3Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1325028.  https://www.osti.gov/servlets/purl/1325028. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1325028,

  title        = {Materials Data on Cr3Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms. All Cr–Cr bond lengths are 2.47 Å. All Cr–Fe bond lengths are 2.47 Å. In the second Cr site, Cr is bonded in a 8-coordinate geometry to eight equivalent Cr and six equivalent Fe atoms. All Cr–Fe bond lengths are 2.85 Å. Fe is bonded in a distorted body-centered cubic geometry to fourteen Cr atoms.},

  doi          = {10.17188/1325028},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325028

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