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Title: Materials Data on MgV2O5 by Materials Project

Abstract

MgV2O5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.33 Å. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent V4+ atoms to form corner-sharing OMg2V2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three equivalent V4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-19003
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; MgV2O5; Mg-O-V
OSTI Identifier:
1193791
DOI:
https://doi.org/10.17188/1193791

Citation Formats

The Materials Project. Materials Data on MgV2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193791.
The Materials Project. Materials Data on MgV2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1193791
The Materials Project. 2020. "Materials Data on MgV2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1193791. https://www.osti.gov/servlets/purl/1193791. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193791,
title = {Materials Data on MgV2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgV2O5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.33 Å. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent V4+ atoms to form corner-sharing OMg2V2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three equivalent V4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V4+ atom.},
doi = {10.17188/1193791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}