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Title: Materials Data on V2O5 by Materials Project

Abstract

V2O5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two V2O5 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.64–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.83 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms.

Publication Date:
Other Number(s):
mp-776041
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; V2O5; O-V
OSTI Identifier:
1304096
DOI:
https://doi.org/10.17188/1304096

Citation Formats

The Materials Project. Materials Data on V2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304096.
The Materials Project. Materials Data on V2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1304096
The Materials Project. 2020. "Materials Data on V2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1304096. https://www.osti.gov/servlets/purl/1304096. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1304096,
title = {Materials Data on V2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {V2O5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two V2O5 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.64–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.83 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms.},
doi = {10.17188/1304096},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}