DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on V3CrO10 by Materials Project

Abstract

V3CrO10 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one V3CrO10 sheet oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra and corners with two equivalent CrO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.92 Å. In the second V5+ site, V5+ is bonded to four equivalent O2- atoms to form corner-sharing VO4 tetrahedra. All V–O bond lengths are 1.74 Å. Cr5+ is bonded to four equivalent O2- atoms to form CrO4 tetrahedra that share corners with four equivalent VO5 trigonal bipyramids. All Cr–O bond lengths are 1.73 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Cr5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V5+ atoms.

Publication Date:
Other Number(s):
mp-849227
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; V3CrO10; Cr-O-V
OSTI Identifier:
1308153
DOI:
https://doi.org/10.17188/1308153

Citation Formats

The Materials Project. Materials Data on V3CrO10 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1308153.
The Materials Project. Materials Data on V3CrO10 by Materials Project. United States. doi:https://doi.org/10.17188/1308153
The Materials Project. 2017. "Materials Data on V3CrO10 by Materials Project". United States. doi:https://doi.org/10.17188/1308153. https://www.osti.gov/servlets/purl/1308153. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1308153,
title = {Materials Data on V3CrO10 by Materials Project},
author = {The Materials Project},
abstractNote = {V3CrO10 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one V3CrO10 sheet oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra and corners with two equivalent CrO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.92 Å. In the second V5+ site, V5+ is bonded to four equivalent O2- atoms to form corner-sharing VO4 tetrahedra. All V–O bond lengths are 1.74 Å. Cr5+ is bonded to four equivalent O2- atoms to form CrO4 tetrahedra that share corners with four equivalent VO5 trigonal bipyramids. All Cr–O bond lengths are 1.73 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Cr5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V5+ atoms.},
doi = {10.17188/1308153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}