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Title: Materials Data on V4O7 by Materials Project

Abstract

V4O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.78–1.83 Å. In the second V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing VO4 tetrahedra. There is three shorter (1.85 Å) and one longer (1.94 Å) V–O bond length. In the third V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.78–1.96 Å. In the fourth V+3.50+ site, V+3.50+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.86 Å) and two longer (1.89 Å) V–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.50+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the third O2- site, O2- is bonded in amore » bent 120 degrees geometry to two V+3.50+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+3.50+ atoms. In the fifth O2- site, O2- is bonded in an L-shaped geometry to two equivalent V+3.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+3.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1178831
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; V4O7; O-V
OSTI Identifier:
1746414
DOI:
https://doi.org/10.17188/1746414

Citation Formats

The Materials Project. Materials Data on V4O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746414.
The Materials Project. Materials Data on V4O7 by Materials Project. United States. doi:https://doi.org/10.17188/1746414
The Materials Project. 2020. "Materials Data on V4O7 by Materials Project". United States. doi:https://doi.org/10.17188/1746414. https://www.osti.gov/servlets/purl/1746414. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746414,
title = {Materials Data on V4O7 by Materials Project},
author = {The Materials Project},
abstractNote = {V4O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.78–1.83 Å. In the second V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing VO4 tetrahedra. There is three shorter (1.85 Å) and one longer (1.94 Å) V–O bond length. In the third V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.78–1.96 Å. In the fourth V+3.50+ site, V+3.50+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.86 Å) and two longer (1.89 Å) V–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.50+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two V+3.50+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+3.50+ atoms. In the fifth O2- site, O2- is bonded in an L-shaped geometry to two equivalent V+3.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+3.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms.},
doi = {10.17188/1746414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}