Materials Data on Fe(Mo3S4)2 by Materials Project

doi:10.17188/1711532

Title: Materials Data on Fe(Mo3S4)2 by Materials Project

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Abstract

Fe(Mo3S4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.43–2.54 Å. Fe3+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Fe–S bond lengths are 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Mo+2.17+ and one Fe3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.17+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1103998

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(Mo3S4)2; Fe-Mo-S; crystal structure

OSTI Identifier:: 1711532

DOI:: https://doi.org/10.17188/1711532

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                    Materials Data on Fe(Mo3S4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711532.

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                    Materials Data on Fe(Mo3S4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711532

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                    2020.  
"Materials Data on Fe(Mo3S4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711532.  https://www.osti.gov/servlets/purl/1711532. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1711532,

  title        = {Materials Data on Fe(Mo3S4)2 by Materials Project},

  
  abstractNote = {Fe(Mo3S4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.43–2.54 Å. Fe3+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Fe–S bond lengths are 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Mo+2.17+ and one Fe3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.17+ atoms.},

  doi          = {10.17188/1711532},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711532

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