Materials Data on Cr3Fe3GeAs2 by Materials Project

doi:10.17188/1728833

Title: Materials Data on Cr3Fe3GeAs2 by Materials Project

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Abstract

Cr3Fe3GeAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to six equivalent Fe, one Ge, and four equivalent As atoms. There are two shorter (2.75 Å) and four longer (2.90 Å) Cr–Fe bond lengths. The Cr–Ge bond length is 2.53 Å. All Cr–As bond lengths are 2.61 Å. Fe is bonded in a 4-coordinate geometry to six equivalent Cr, two equivalent Fe, two equivalent Ge, and two equivalent As atoms. Both Fe–Fe bond lengths are 2.55 Å. Both Fe–Ge bond lengths are 2.39 Å. Both Fe–As bond lengths are 2.32 Å. Ge 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:: 2020-06-04

Other Number(s):: mp-1226425

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; Cr3Fe3GeAs2; As-Cr-Fe-Ge

OSTI Identifier:: 1728833

DOI:: https://doi.org/10.17188/1728833

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                    The Materials Project. Materials Data on Cr3Fe3GeAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728833.

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                    The Materials Project. Materials Data on Cr3Fe3GeAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728833

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                    The Materials Project. 2020.  
"Materials Data on Cr3Fe3GeAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728833.  https://www.osti.gov/servlets/purl/1728833. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1728833,

  title        = {Materials Data on Cr3Fe3GeAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr3Fe3GeAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to six equivalent Fe, one Ge, and four equivalent As atoms. There are two shorter (2.75 Å) and four longer (2.90 Å) Cr–Fe bond lengths. The Cr–Ge bond length is 2.53 Å. All Cr–As bond lengths are 2.61 Å. Fe is bonded in a 4-coordinate geometry to six equivalent Cr, two equivalent Fe, two equivalent Ge, and two equivalent As atoms. Both Fe–Fe bond lengths are 2.55 Å. Both Fe–Ge bond lengths are 2.39 Å. Both Fe–As bond lengths are 2.32 Å. Ge 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          = {10.17188/1728833},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1728833

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