Materials Data on Cr3GaFe3As2 by Materials Project

doi:10.17188/1738313

Title: Materials Data on Cr3GaFe3As2 by Materials Project

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Abstract

Cr3Fe3GaAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to one Ga and four equivalent As atoms. The Cr–Ga bond length is 2.55 Å. All Cr–As bond lengths are 2.62 Å. Fe is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent As atoms. Both Fe–Ga bond lengths are 2.40 Å. Both Fe–As bond lengths are 2.32 Å. Ga is bonded in a distorted q6 geometry to three equivalent Cr and six equivalent Fe atoms. As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: Thu Jun 04 00:00:00 EDT 2020

Other Number(s):: mp-1226345

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; Cr3GaFe3As2; As-Cr-Fe-Ga

OSTI Identifier:: 1738313

DOI:: https://doi.org/10.17188/1738313

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                    The Materials Project. Materials Data on Cr3GaFe3As2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738313.

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                    The Materials Project. Materials Data on Cr3GaFe3As2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738313

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                    The Materials Project. 2020.  
"Materials Data on Cr3GaFe3As2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738313.  https://www.osti.gov/servlets/purl/1738313. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1738313,

  title        = {Materials Data on Cr3GaFe3As2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr3Fe3GaAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to one Ga and four equivalent As atoms. The Cr–Ga bond length is 2.55 Å. All Cr–As bond lengths are 2.62 Å. Fe is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent As atoms. Both Fe–Ga bond lengths are 2.40 Å. Both Fe–As bond lengths are 2.32 Å. Ga is bonded in a distorted q6 geometry to three equivalent Cr and six equivalent Fe atoms. As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Fe atoms.},

  doi          = {10.17188/1738313},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jun 04 00:00:00 EDT 2020},

  month        = {Thu Jun 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738313

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