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Title: Materials Data on MgV3O7 by Materials Project

Abstract

MgV3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.52 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to five O2- atoms to form distorted edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.66–2.01 Å. In the second V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one V4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V4+ atom. In the third O2- site, O2- is bonded to one Mg2+ and three V4+ atoms to form a mixture of distorted corner and edge-sharing OMgV3 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three V4+ atoms.

Publication Date:
Other Number(s):
mp-773444
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; MgV3O7; Mg-O-V
OSTI Identifier:
1301879
DOI:
10.17188/1301879

Citation Formats

The Materials Project. Materials Data on MgV3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301879.
The Materials Project. Materials Data on MgV3O7 by Materials Project. United States. doi:10.17188/1301879.
The Materials Project. 2020. "Materials Data on MgV3O7 by Materials Project". United States. doi:10.17188/1301879. https://www.osti.gov/servlets/purl/1301879. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301879,
title = {Materials Data on MgV3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {MgV3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.52 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to five O2- atoms to form distorted edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.66–2.01 Å. In the second V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one V4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V4+ atom. In the third O2- site, O2- is bonded to one Mg2+ and three V4+ atoms to form a mixture of distorted corner and edge-sharing OMgV3 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three V4+ atoms.},
doi = {10.17188/1301879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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