Materials Data on Th(FeSi)2 by Materials Project

doi:10.17188/1291550

Title: Materials Data on Th(FeSi)2 by Materials Project

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Abstract

Th(FeSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.15 Å. Fe2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.29 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Fe2+, and one Si4- atom. The Si–Si bond length is 2.66 Å.

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7600

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; Fe-Si-Th; Th(FeSi)2; crystal structure

OSTI Identifier:: 1291550

DOI:: https://doi.org/10.17188/1291550

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                    Materials Data on Th(FeSi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291550.

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                    Materials Data on Th(FeSi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291550

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                    2020.  
"Materials Data on Th(FeSi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291550.  https://www.osti.gov/servlets/purl/1291550. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1291550,

  title        = {Materials Data on Th(FeSi)2 by Materials Project},

  
  abstractNote = {Th(FeSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.15 Å. Fe2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.29 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Fe2+, and one Si4- atom. The Si–Si bond length is 2.66 Å.},

  doi          = {10.17188/1291550},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1291550

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