DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs2V3O8 by Materials Project

Abstract

Cs2V3O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.74 Å. There are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.67–1.83 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.65 Å) and four longer (2.00 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent V+4.67+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one V+4.67+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one V+4.67+ atom.

Publication Date:
Other Number(s):
mp-1192739
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; Cs2V3O8; Cs-O-V
OSTI Identifier:
1662873
DOI:
https://doi.org/10.17188/1662873

Citation Formats

The Materials Project. Materials Data on Cs2V3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662873.
The Materials Project. Materials Data on Cs2V3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1662873
The Materials Project. 2020. "Materials Data on Cs2V3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1662873. https://www.osti.gov/servlets/purl/1662873. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1662873,
title = {Materials Data on Cs2V3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2V3O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.74 Å. There are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.67–1.83 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.65 Å) and four longer (2.00 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent V+4.67+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one V+4.67+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one V+4.67+ atom.},
doi = {10.17188/1662873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}