Materials Data on V(FeSe2)2 by Materials Project

doi:10.17188/1697950

Title: Materials Data on V(FeSe2)2 by Materials Project

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Abstract

V(FeSe2)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one V(FeSe2)2 ribbon oriented in the (1, 0, 0) direction. V2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of V–Se bond distances ranging from 2.29–2.36 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.26–2.43 Å. In the second Fe3+ site, Fe3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.33–2.39 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one V2+ and one Fe3+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to two Fe3+ atoms. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to one V2+ and one Fe3+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to one V2+ and two Fe3+ atoms.

Publication Date:: Sat Jul 14 04:00:00 UTC 2018

Other Number(s):: mp-1100951

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-Se-V; V(FeSe2)2; crystal structure

OSTI Identifier:: 1697950

DOI:: https://doi.org/10.17188/1697950

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                    Materials Data on V(FeSe2)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1697950.

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                    Materials Data on V(FeSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1697950

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                    2018.  
"Materials Data on V(FeSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1697950.  https://www.osti.gov/servlets/purl/1697950. Pub date:Sat Jul 14 04:00:00 UTC 2018

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@article{osti_1697950,

  title        = {Materials Data on V(FeSe2)2 by Materials Project},

  
  abstractNote = {V(FeSe2)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one V(FeSe2)2 ribbon oriented in the (1, 0, 0) direction. V2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of V–Se bond distances ranging from 2.29–2.36 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.26–2.43 Å. In the second Fe3+ site, Fe3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.33–2.39 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one V2+ and one Fe3+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to two Fe3+ atoms. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to one V2+ and one Fe3+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to one V2+ and two Fe3+ atoms.},

  doi          = {10.17188/1697950},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 14 04:00:00 UTC 2018},

  month        = {Sat Jul 14 04:00:00 UTC 2018}

}

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DOI: https://doi.org/10.17188/1697950

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