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Title: Materials Data on Cs2VHO4 by Materials Project

Abstract

Cs2VHO4 crystallizes in the orthorhombic Cmc2_1 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 one H1+ and six O2- atoms. The Cs–H bond length is 3.15 Å. There are a spread of Cs–O bond distances ranging from 2.86–3.69 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.94 Å) and one longer (3.12 Å) Cs–O bond lengths. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.71 Å) and two longer (1.80 Å) V–O bond length. H1+ is bonded in a linear geometry to one Cs1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one V5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Cs1+, one V5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and onemore » V5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1096946
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; Cs2VHO4; Cs-H-O-V
OSTI Identifier:
1744530
DOI:
https://doi.org/10.17188/1744530

Citation Formats

The Materials Project. Materials Data on Cs2VHO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744530.
The Materials Project. Materials Data on Cs2VHO4 by Materials Project. United States. doi:https://doi.org/10.17188/1744530
The Materials Project. 2020. "Materials Data on Cs2VHO4 by Materials Project". United States. doi:https://doi.org/10.17188/1744530. https://www.osti.gov/servlets/purl/1744530. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744530,
title = {Materials Data on Cs2VHO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2VHO4 crystallizes in the orthorhombic Cmc2_1 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 one H1+ and six O2- atoms. The Cs–H bond length is 3.15 Å. There are a spread of Cs–O bond distances ranging from 2.86–3.69 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.94 Å) and one longer (3.12 Å) Cs–O bond lengths. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.71 Å) and two longer (1.80 Å) V–O bond length. H1+ is bonded in a linear geometry to one Cs1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one V5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Cs1+, one V5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one V5+ atom.},
doi = {10.17188/1744530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}