Materials Data on V3S4 by Materials Project

doi:10.17188/1187375

Title: Materials Data on V3S4 by Materials Project

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Abstract

V3S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.67+ sites. In the first V+2.67+ site, V+2.67+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are two shorter (2.39 Å) and four longer (2.44 Å) V–S bond lengths. In the second V+2.67+ site, V+2.67+ is bonded to six S2- atoms to form a mixture of distorted edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of V–S bond distances ranging from 2.31–2.58 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.67+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four V+2.67+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-1081

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; S-V; V3S4; crystal structure

OSTI Identifier:: 1187375

DOI:: https://doi.org/10.17188/1187375

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                    Materials Data on V3S4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187375.

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                    Materials Data on V3S4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187375

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                    2020.  
"Materials Data on V3S4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187375.  https://www.osti.gov/servlets/purl/1187375. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187375,

  title        = {Materials Data on V3S4 by Materials Project},

  
  abstractNote = {V3S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.67+ sites. In the first V+2.67+ site, V+2.67+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are two shorter (2.39 Å) and four longer (2.44 Å) V–S bond lengths. In the second V+2.67+ site, V+2.67+ is bonded to six S2- atoms to form a mixture of distorted edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of V–S bond distances ranging from 2.31–2.58 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.67+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four V+2.67+ atoms.},

  doi          = {10.17188/1187375},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187375

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