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Title: Materials Data on V2Cu3O8 by Materials Project

Abstract

Cu3V2O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–1.81 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.96 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.95 Å) Cu–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one V5+ and two Cu2+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Cu2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-504747
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; V2Cu3O8; Cu-O-V
OSTI Identifier:
1262031
DOI:
https://doi.org/10.17188/1262031

Citation Formats

The Materials Project. Materials Data on V2Cu3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262031.
The Materials Project. Materials Data on V2Cu3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1262031
The Materials Project. 2020. "Materials Data on V2Cu3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1262031. https://www.osti.gov/servlets/purl/1262031. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262031,
title = {Materials Data on V2Cu3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3V2O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–1.81 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.96 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.95 Å) Cu–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one V5+ and two Cu2+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Cu2+ atom.},
doi = {10.17188/1262031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}