Materials Data on Fe2Ge by Materials Project

doi:10.17188/1195554

Title: Materials Data on Fe2Ge by Materials Project

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Abstract

Fe2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Ge atoms. There are two shorter (2.50 Å) and six longer (2.69 Å) Fe–Fe bond lengths. All Fe–Ge bond lengths are 2.69 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Ge atoms to form a mixture of distorted face and corner-sharing FeFe6Ge5 trigonal bipyramids. There are three shorter (2.39 Å) and two longer (2.50 Å) Fe–Ge bond lengths. Ge is bonded in a 5-coordinate geometry to eleven Fe atoms.

Publication Date:: 2020-08-02

Other Number(s):: mp-20432

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Fe-Ge; Fe2Ge

OSTI Identifier:: 1195554

DOI:: https://doi.org/10.17188/1195554

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                    Materials Data on Fe2Ge by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195554.

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                    Materials Data on Fe2Ge by Materials Project.  United States.  doi:https://doi.org/10.17188/1195554

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                    2020.  
"Materials Data on Fe2Ge by Materials Project".  United States.  doi:https://doi.org/10.17188/1195554.  https://www.osti.gov/servlets/purl/1195554. Pub date:Sun Aug 02 20:00:00 EDT 2020

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@article{osti_1195554,

  title        = {Materials Data on Fe2Ge by Materials Project},

  
  abstractNote = {Fe2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Ge atoms. There are two shorter (2.50 Å) and six longer (2.69 Å) Fe–Fe bond lengths. All Fe–Ge bond lengths are 2.69 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Ge atoms to form a mixture of distorted face and corner-sharing FeFe6Ge5 trigonal bipyramids. There are three shorter (2.39 Å) and two longer (2.50 Å) Fe–Ge bond lengths. Ge is bonded in a 5-coordinate geometry to eleven Fe atoms.},

  doi          = {10.17188/1195554},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1195554

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