Materials Data on ThFe2 by Materials Project

doi:10.17188/1691422

Title: Materials Data on ThFe2 by Materials Project

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Abstract

ThFe2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Fe atoms. All Th–Fe bond lengths are 2.90 Å. Fe is bonded to four equivalent Th and four equivalent Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeTh4Fe4 hexagonal bipyramids. All Fe–Fe bond lengths are 2.51 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1062988

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; ThFe2; Fe-Th

OSTI Identifier:: 1691422

DOI:: https://doi.org/10.17188/1691422

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                    The Materials Project. Materials Data on ThFe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691422.

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                    The Materials Project. Materials Data on ThFe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1691422

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                    The Materials Project. 2020.  
"Materials Data on ThFe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1691422.  https://www.osti.gov/servlets/purl/1691422. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1691422,

  title        = {Materials Data on ThFe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThFe2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Fe atoms. All Th–Fe bond lengths are 2.90 Å. Fe is bonded to four equivalent Th and four equivalent Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeTh4Fe4 hexagonal bipyramids. All Fe–Fe bond lengths are 2.51 Å.},

  doi          = {10.17188/1691422},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1691422

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