Materials Data on Fe3SnC by Materials Project

doi:10.17188/1197196

Title: Materials Data on Fe3SnC by Materials Project

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Abstract

Fe3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Fe–Sn bond lengths are 2.75 Å. Both Fe–C bond lengths are 1.95 Å. Sn is bonded to twelve equivalent Fe atoms to form SnFe12 cuboctahedra that share corners with twelve equivalent SnFe12 cuboctahedra, faces with six equivalent SnFe12 cuboctahedra, and faces with eight equivalent CFe6 octahedra. C is bonded to six equivalent Fe atoms to form CFe6 octahedra that share corners with six equivalent CFe6 octahedra and faces with eight equivalent SnFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-21850

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; Fe3SnC; C-Fe-Sn

OSTI Identifier:: 1197196

DOI:: https://doi.org/10.17188/1197196

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                    The Materials Project. Materials Data on Fe3SnC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197196.

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                    The Materials Project. Materials Data on Fe3SnC by Materials Project.  United States.  doi:https://doi.org/10.17188/1197196

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                    The Materials Project. 2020.  
"Materials Data on Fe3SnC by Materials Project".  United States.  doi:https://doi.org/10.17188/1197196.  https://www.osti.gov/servlets/purl/1197196. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197196,

  title        = {Materials Data on Fe3SnC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Fe–Sn bond lengths are 2.75 Å. Both Fe–C bond lengths are 1.95 Å. Sn is bonded to twelve equivalent Fe atoms to form SnFe12 cuboctahedra that share corners with twelve equivalent SnFe12 cuboctahedra, faces with six equivalent SnFe12 cuboctahedra, and faces with eight equivalent CFe6 octahedra. C is bonded to six equivalent Fe atoms to form CFe6 octahedra that share corners with six equivalent CFe6 octahedra and faces with eight equivalent SnFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1197196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197196

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