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Title: Materials Data on V2Zn2O7 by Materials Project

Abstract

Zn2V2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.78 Å) V–O bond length. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.

Publication Date:
Other Number(s):
mp-18807
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; V2Zn2O7; O-V-Zn
OSTI Identifier:
1193508
DOI:
https://doi.org/10.17188/1193508

Citation Formats

The Materials Project. Materials Data on V2Zn2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193508.
The Materials Project. Materials Data on V2Zn2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1193508
The Materials Project. 2020. "Materials Data on V2Zn2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1193508. https://www.osti.gov/servlets/purl/1193508. Pub date:Fri Apr 24 00:00:00 EDT 2020
@article{osti_1193508,
title = {Materials Data on V2Zn2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn2V2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.78 Å) V–O bond length. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.},
doi = {10.17188/1193508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}