Materials Data on MnFeSeS by Materials Project

doi:10.17188/1748495

Title: Materials Data on MnFeSeS by Materials Project

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Abstract

MnFeSeS is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Mn2+ is bonded in a 6-coordinate geometry to three equivalent Se2- and three equivalent S2- atoms. All Mn–Se bond lengths are 2.71 Å. All Mn–S bond lengths are 2.17 Å. Fe2+ is bonded in a 6-coordinate geometry to three equivalent Se2- and three equivalent S2- atoms. All Fe–Se bond lengths are 2.72 Å. All Fe–S bond lengths are 2.19 Å. Se2- is bonded to three equivalent Mn2+ and three equivalent Fe2+ atoms to form distorted edge-sharing SeMn3Fe3 octahedra. S2- is bonded in a 6-coordinate geometry to three equivalent Mn2+ and three equivalent Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1221700

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; MnFeSeS; Fe-Mn-S-Se

OSTI Identifier:: 1748495

DOI:: https://doi.org/10.17188/1748495

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                    The Materials Project. Materials Data on MnFeSeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748495.

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                    The Materials Project. Materials Data on MnFeSeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1748495

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                    The Materials Project. 2020.  
"Materials Data on MnFeSeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1748495.  https://www.osti.gov/servlets/purl/1748495. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748495,

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

  author       = {The Materials Project},

  abstractNote = {MnFeSeS is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Mn2+ is bonded in a 6-coordinate geometry to three equivalent Se2- and three equivalent S2- atoms. All Mn–Se bond lengths are 2.71 Å. All Mn–S bond lengths are 2.17 Å. Fe2+ is bonded in a 6-coordinate geometry to three equivalent Se2- and three equivalent S2- atoms. All Fe–Se bond lengths are 2.72 Å. All Fe–S bond lengths are 2.19 Å. Se2- is bonded to three equivalent Mn2+ and three equivalent Fe2+ atoms to form distorted edge-sharing SeMn3Fe3 octahedra. S2- is bonded in a 6-coordinate geometry to three equivalent Mn2+ and three equivalent Fe2+ atoms.},

  doi          = {10.17188/1748495},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748495

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