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Title: Materials Data on V3O8 by Materials Project

Abstract

V3O8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one V3O8 sheet oriented in the (0, 0, 1) direction. there are two inequivalent V sites. In the first V site, V is bonded to six O atoms to form edge-sharing VO6 octahedra. There is four shorter (1.88 Å) and two longer (1.96 Å) V–O bond length. In the second V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.70–2.15 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent V atoms. In the second O site, O is bonded in a linear geometry to two V atoms. In the third O site, O is bonded in a water-like geometry to two equivalent V atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent V atoms.

Authors:
Publication Date:
Other Number(s):
mp-1178827
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; V3O8; O-V
OSTI Identifier:
1734119
DOI:
https://doi.org/10.17188/1734119

Citation Formats

The Materials Project. Materials Data on V3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734119.
The Materials Project. Materials Data on V3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1734119
The Materials Project. 2020. "Materials Data on V3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1734119. https://www.osti.gov/servlets/purl/1734119. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1734119,
title = {Materials Data on V3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {V3O8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one V3O8 sheet oriented in the (0, 0, 1) direction. there are two inequivalent V sites. In the first V site, V is bonded to six O atoms to form edge-sharing VO6 octahedra. There is four shorter (1.88 Å) and two longer (1.96 Å) V–O bond length. In the second V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.70–2.15 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent V atoms. In the second O site, O is bonded in a linear geometry to two V atoms. In the third O site, O is bonded in a water-like geometry to two equivalent V atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent V atoms.},
doi = {10.17188/1734119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}