Materials Data on Fe2SiS4 by Materials Project

doi:10.17188/1685947

Title: Materials Data on Fe2SiS4 by Materials Project

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Abstract

Fe2SiS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent SiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.44 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–S bond lengths are 2.18 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1096954

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; Fe2SiS4; Fe-S-Si

OSTI Identifier:: 1685947

DOI:: https://doi.org/10.17188/1685947

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                    The Materials Project. Materials Data on Fe2SiS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685947.

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                    The Materials Project. Materials Data on Fe2SiS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685947

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                    The Materials Project. 2020.  
"Materials Data on Fe2SiS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685947.  https://www.osti.gov/servlets/purl/1685947. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685947,

  title        = {Materials Data on Fe2SiS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2SiS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent SiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.44 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–S bond lengths are 2.18 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.},

  doi          = {10.17188/1685947},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1685947

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