Materials Data on V7S8 by Materials Project

doi:10.17188/1719745

Title: Materials Data on V7S8 by Materials Project

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Abstract

V7S8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent V+2.29+ sites. In the first V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of V–S bond distances ranging from 2.37–2.42 Å. In the second V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.35–2.43 Å. In the third V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of V–S bond distances ranging from 2.37–2.39 Å. In the fourth V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are four shorter (2.38 Å) and two longer (2.39 Å) V–S bond lengths. There are three inequivalent S2- sites. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1216463

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; V7S8; S-V

OSTI Identifier:: 1719745

DOI:: https://doi.org/10.17188/1719745

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                    The Materials Project. Materials Data on V7S8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719745.

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                    The Materials Project. Materials Data on V7S8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719745

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                    The Materials Project. 2020.  
"Materials Data on V7S8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719745.  https://www.osti.gov/servlets/purl/1719745. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1719745,

  title        = {Materials Data on V7S8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V7S8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent V+2.29+ sites. In the first V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of V–S bond distances ranging from 2.37–2.42 Å. In the second V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.35–2.43 Å. In the third V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of V–S bond distances ranging from 2.37–2.39 Å. In the fourth V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are four shorter (2.38 Å) and two longer (2.39 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.29+ atoms. In the second S2- site, S2- is bonded to six V+2.29+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.29+ atoms.},

  doi          = {10.17188/1719745},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1719745

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