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Title: Materials Data on V4ZnO8 by Materials Project

Abstract

V4ZnO8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six O2- atoms to form VO6 octahedra that share edges with two equivalent ZnO6 octahedra and edges with six VO6 octahedra. There is two shorter (1.97 Å) and four longer (2.00 Å) V–O bond length. In the second V+3.50+ site, V+3.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent ZnO6 octahedra and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All V–O bond lengths are 2.07 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent VO6 octahedra and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Zn–O bond lengths are 2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three V+3.50+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent V+3.50+ atoms.

Publication Date:
Other Number(s):
mvc-13217
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; V4ZnO8; O-V-Zn
OSTI Identifier:
1318815
DOI:
https://doi.org/10.17188/1318815

Citation Formats

The Materials Project. Materials Data on V4ZnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318815.
The Materials Project. Materials Data on V4ZnO8 by Materials Project. United States. doi:https://doi.org/10.17188/1318815
The Materials Project. 2020. "Materials Data on V4ZnO8 by Materials Project". United States. doi:https://doi.org/10.17188/1318815. https://www.osti.gov/servlets/purl/1318815. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1318815,
title = {Materials Data on V4ZnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {V4ZnO8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six O2- atoms to form VO6 octahedra that share edges with two equivalent ZnO6 octahedra and edges with six VO6 octahedra. There is two shorter (1.97 Å) and four longer (2.00 Å) V–O bond length. In the second V+3.50+ site, V+3.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent ZnO6 octahedra and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All V–O bond lengths are 2.07 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent VO6 octahedra and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Zn–O bond lengths are 2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three V+3.50+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent V+3.50+ atoms.},
doi = {10.17188/1318815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}