Materials Data on V2Cr2Fe by Materials Project

doi:10.17188/1708061

Title: Materials Data on V2Cr2Fe by Materials Project

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Abstract

V2Cr2Fe crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to six V and two equivalent Cr atoms. There are four shorter (2.51 Å) and two longer (2.63 Å) V–V bond lengths. Both V–Cr bond lengths are 2.54 Å. In the second V site, V is bonded in a 8-coordinate geometry to two equivalent V and two equivalent Fe atoms. Both V–Fe bond lengths are 2.51 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 8-coordinate geometry to two equivalent Cr and two equivalent Fe atoms. Both Cr–Cr bond lengths are 2.45 Å. Both Cr–Fe bond lengths are 2.46 Å. In the second Cr site, Cr is bonded in a distorted body-centered cubic geometry to two equivalent V and six Cr atoms. All Cr–Cr bond lengths are 2.51 Å. Fe is bonded in a 8-coordinate geometry to two equivalent V and two equivalent Cr atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1216576

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; V2Cr2Fe; Cr-Fe-V

OSTI Identifier:: 1708061

DOI:: https://doi.org/10.17188/1708061

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                    The Materials Project. Materials Data on V2Cr2Fe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708061.

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                    The Materials Project. Materials Data on V2Cr2Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1708061

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                    The Materials Project. 2020.  
"Materials Data on V2Cr2Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1708061.  https://www.osti.gov/servlets/purl/1708061. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1708061,

  title        = {Materials Data on V2Cr2Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2Cr2Fe crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to six V and two equivalent Cr atoms. There are four shorter (2.51 Å) and two longer (2.63 Å) V–V bond lengths. Both V–Cr bond lengths are 2.54 Å. In the second V site, V is bonded in a 8-coordinate geometry to two equivalent V and two equivalent Fe atoms. Both V–Fe bond lengths are 2.51 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 8-coordinate geometry to two equivalent Cr and two equivalent Fe atoms. Both Cr–Cr bond lengths are 2.45 Å. Both Cr–Fe bond lengths are 2.46 Å. In the second Cr site, Cr is bonded in a distorted body-centered cubic geometry to two equivalent V and six Cr atoms. All Cr–Cr bond lengths are 2.51 Å. Fe is bonded in a 8-coordinate geometry to two equivalent V and two equivalent Cr atoms.},

  doi          = {10.17188/1708061},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708061

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