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Title: Materials Data on V3O7 by Materials Project

Abstract

V3O7 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two V3O7 sheets oriented in the (0, 1, 0) direction. there are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–1.99 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 (1.61 Å) and four longer (2.02 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-13330
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; V3O7; O-V
OSTI Identifier:
1318858
DOI:
https://doi.org/10.17188/1318858

Citation Formats

The Materials Project. Materials Data on V3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318858.
The Materials Project. Materials Data on V3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1318858
The Materials Project. 2020. "Materials Data on V3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1318858. https://www.osti.gov/servlets/purl/1318858. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1318858,
title = {Materials Data on V3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {V3O7 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two V3O7 sheets oriented in the (0, 1, 0) direction. there are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–1.99 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 (1.61 Å) and four longer (2.02 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom.},
doi = {10.17188/1318858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}