Materials Data on K3VS4 by Materials Project

doi:10.17188/1206975

Title: Materials Data on K3VS4 by Materials Project

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Abstract

K3VS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.50 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.80 Å. V5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one V5+ atom. In the second S2- site, S2- is bonded to five K1+ and one V5+ atom to form distorted edge-sharing SK5V octahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one V5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-3529

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; K3VS4; K-S-V

OSTI Identifier:: 1206975

DOI:: https://doi.org/10.17188/1206975

Citation Formats


                    The Materials Project. Materials Data on K3VS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206975.

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                    The Materials Project. Materials Data on K3VS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206975

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                    The Materials Project. 2020.  
"Materials Data on K3VS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206975.  https://www.osti.gov/servlets/purl/1206975. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1206975,

  title        = {Materials Data on K3VS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3VS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.50 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.80 Å. V5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one V5+ atom. In the second S2- site, S2- is bonded to five K1+ and one V5+ atom to form distorted edge-sharing SK5V octahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one V5+ atom.},

  doi          = {10.17188/1206975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206975

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