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Title: Materials Data on Cs2VS5O by Materials Project

Abstract

Cs2VS5O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (3.08 Å) and one longer (3.13 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to nine S+0.40- and one O2- atom. There are a spread of Cs–S bond distances ranging from 3.48–4.00 Å. The Cs–O bond length is 3.31 Å. V2+ is bonded in a distorted single-bond geometry to five S+0.40- and one O2- atom. There are a spread of V–S bond distances ranging from 2.33–2.43 Å. The V–O bond length is 1.66 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to one Cs1+ and one V2+ atom. In the second S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one V2+ atom. In the third S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one V2+ atom. In the fourth S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to twomore » equivalent Cs1+ and one V2+ atom. In the fifth S+0.40- site, S+0.40- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one V2+ atom. O2- is bonded in a distorted single-bond geometry to three Cs1+ and one V2+ atom.« less

Publication Date:
Other Number(s):
mp-1198002
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; Cs2VS5O; Cs-O-S-V
OSTI Identifier:
1746800
DOI:
https://doi.org/10.17188/1746800

Citation Formats

The Materials Project. Materials Data on Cs2VS5O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746800.
The Materials Project. Materials Data on Cs2VS5O by Materials Project. United States. doi:https://doi.org/10.17188/1746800
The Materials Project. 2020. "Materials Data on Cs2VS5O by Materials Project". United States. doi:https://doi.org/10.17188/1746800. https://www.osti.gov/servlets/purl/1746800. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746800,
title = {Materials Data on Cs2VS5O by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2VS5O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (3.08 Å) and one longer (3.13 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to nine S+0.40- and one O2- atom. There are a spread of Cs–S bond distances ranging from 3.48–4.00 Å. The Cs–O bond length is 3.31 Å. V2+ is bonded in a distorted single-bond geometry to five S+0.40- and one O2- atom. There are a spread of V–S bond distances ranging from 2.33–2.43 Å. The V–O bond length is 1.66 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to one Cs1+ and one V2+ atom. In the second S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one V2+ atom. In the third S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one V2+ atom. In the fourth S+0.40- site, S+0.40- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one V2+ atom. In the fifth S+0.40- site, S+0.40- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one V2+ atom. O2- is bonded in a distorted single-bond geometry to three Cs1+ and one V2+ atom.},
doi = {10.17188/1746800},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}