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Title: Materials Data on VCu3O4 by Materials Project

Abstract

Cu3VO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with twelve CuO4 tetrahedra. All V–O bond lengths are 1.80 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight CuO4 tetrahedra. All Cu–O bond lengths are 2.04 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All Cu–O bond lengths are 2.06 Å. O2- is bonded to one V5+ and three Cu1+ atoms to form corner-sharing OVCu3 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510657
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VCu3O4; Cu-O-V
OSTI Identifier:
1263047
DOI:
10.17188/1263047

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on VCu3O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263047.
Persson, Kristin, & Project, Materials. Materials Data on VCu3O4 by Materials Project. United States. doi:10.17188/1263047.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on VCu3O4 by Materials Project". United States. doi:10.17188/1263047. https://www.osti.gov/servlets/purl/1263047. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1263047,
title = {Materials Data on VCu3O4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cu3VO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with twelve CuO4 tetrahedra. All V–O bond lengths are 1.80 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight CuO4 tetrahedra. All Cu–O bond lengths are 2.04 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All Cu–O bond lengths are 2.06 Å. O2- is bonded to one V5+ and three Cu1+ atoms to form corner-sharing OVCu3 tetrahedra.},
doi = {10.17188/1263047},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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