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Title: Materials Data on Rb3VS4 by Materials Project

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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505721
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3VS4; Rb-S-V
OSTI Identifier:
1262720
DOI:
10.17188/1262720

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb3VS4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1262720.
Persson, Kristin, & Project, Materials. Materials Data on Rb3VS4 by Materials Project. United States. doi:10.17188/1262720.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Rb3VS4 by Materials Project". United States. doi:10.17188/1262720. https://www.osti.gov/servlets/purl/1262720. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1262720,
title = {Materials Data on Rb3VS4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
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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