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Title: Materials Data on V3Zn2O8 by Materials Project

Abstract

V3Zn2O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There is two shorter (1.86 Å) and four longer (2.03 Å) V–O bond length. In the second V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.91–2.06 Å. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three V4+ atoms. In the third O2- site, O2- is bonded to two V4+ and two equivalent Zn2+ atoms to form a mixture of distorted corner and edge-sharing OV2Zn2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mvc-14221
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; V3Zn2O8; O-V-Zn
OSTI Identifier:
1319078
DOI:
https://doi.org/10.17188/1319078

Citation Formats

The Materials Project. Materials Data on V3Zn2O8 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1319078.
The Materials Project. Materials Data on V3Zn2O8 by Materials Project. United States. doi:https://doi.org/10.17188/1319078
The Materials Project. 2014. "Materials Data on V3Zn2O8 by Materials Project". United States. doi:https://doi.org/10.17188/1319078. https://www.osti.gov/servlets/purl/1319078. Pub date:Tue Sep 30 00:00:00 EDT 2014
@article{osti_1319078,
title = {Materials Data on V3Zn2O8 by Materials Project},
author = {The Materials Project},
abstractNote = {V3Zn2O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There is two shorter (1.86 Å) and four longer (2.03 Å) V–O bond length. In the second V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.91–2.06 Å. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three V4+ atoms. In the third O2- site, O2- is bonded to two V4+ and two equivalent Zn2+ atoms to form a mixture of distorted corner and edge-sharing OV2Zn2 trigonal pyramids.},
doi = {10.17188/1319078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {9}
}