Materials Data on Rb3VS4 by Materials Project

doi:10.17188/1262720

Title: Materials Data on Rb3VS4 by Materials Project

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Abstract

Rb3VS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.57 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.54 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 to five Rb1+ and one V5+ atom to form distorted edge-sharing SRb5V octahedra. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Rb1+ and one V5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to four Rb1+ and one V5+ atom.

Authors:: The Materials Project

Publication Date:: 2017-05-11

Other Number(s):: mp-505721

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; Rb3VS4; Rb-S-V

OSTI Identifier:: 1262720

DOI:: https://doi.org/10.17188/1262720

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                    The Materials Project. Materials Data on Rb3VS4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1262720.

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                    The Materials Project. Materials Data on Rb3VS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262720

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                    The Materials Project. 2017.  
"Materials Data on Rb3VS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262720.  https://www.osti.gov/servlets/purl/1262720. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1262720,

  title        = {Materials Data on Rb3VS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3VS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.57 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.54 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 to five Rb1+ and one V5+ atom to form distorted edge-sharing SRb5V octahedra. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Rb1+ and one V5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to four Rb1+ and one V5+ atom.},

  doi          = {10.17188/1262720},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1262720

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