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Title: Materials Data on VReO4 by Materials Project

Abstract

ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.01 Å) and four longer (2.02 Å) V–O bond lengths. Re3+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There is two shorter (1.90 Å) and four longer (2.03 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one V5+ and two equivalent Re3+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V5+ and one Re3+ atom.

Publication Date:
Other Number(s):
mp-1216284
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; VReO4; O-Re-V
OSTI Identifier:
1651720
DOI:
https://doi.org/10.17188/1651720

Citation Formats

The Materials Project. Materials Data on VReO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651720.
The Materials Project. Materials Data on VReO4 by Materials Project. United States. doi:https://doi.org/10.17188/1651720
The Materials Project. 2020. "Materials Data on VReO4 by Materials Project". United States. doi:https://doi.org/10.17188/1651720. https://www.osti.gov/servlets/purl/1651720. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651720,
title = {Materials Data on VReO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.01 Å) and four longer (2.02 Å) V–O bond lengths. Re3+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There is two shorter (1.90 Å) and four longer (2.03 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one V5+ and two equivalent Re3+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V5+ and one Re3+ atom.},
doi = {10.17188/1651720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}