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Title: Materials Data on V7O3 by Materials Project

Abstract

V7O3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a linear geometry to two equivalent O atoms. Both V–O bond lengths are 2.22 Å. In the second V site, V is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of V–O bond distances ranging from 2.20–2.22 Å. In the third V site, V is bonded in an L-shaped geometry to two O atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) V–O bond lengths. In the fourth V site, V is bonded in a T-shaped geometry to three O atoms. There are one shorter (2.20 Å) and two longer (2.21 Å) V–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedral tilt angles are 3°.

Authors:
Publication Date:
Other Number(s):
mp-1100921
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; V7O3; O-V
OSTI Identifier:
1689619
DOI:
https://doi.org/10.17188/1689619

Citation Formats

The Materials Project. Materials Data on V7O3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1689619.
The Materials Project. Materials Data on V7O3 by Materials Project. United States. doi:https://doi.org/10.17188/1689619
The Materials Project. 2018. "Materials Data on V7O3 by Materials Project". United States. doi:https://doi.org/10.17188/1689619. https://www.osti.gov/servlets/purl/1689619. Pub date:Fri Jul 13 00:00:00 EDT 2018
@article{osti_1689619,
title = {Materials Data on V7O3 by Materials Project},
author = {The Materials Project},
abstractNote = {V7O3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a linear geometry to two equivalent O atoms. Both V–O bond lengths are 2.22 Å. In the second V site, V is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of V–O bond distances ranging from 2.20–2.22 Å. In the third V site, V is bonded in an L-shaped geometry to two O atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) V–O bond lengths. In the fourth V site, V is bonded in a T-shaped geometry to three O atoms. There are one shorter (2.20 Å) and two longer (2.21 Å) V–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedral tilt angles are 3°.},
doi = {10.17188/1689619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}