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Title: Materials Data on VAgOF4 by Materials Project

Abstract

VAgOF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. V5+ is bonded in a distorted trigonal bipyramidal geometry to one O2- and four F1- atoms. The V–O bond length is 1.62 Å. There are a spread of V–F bond distances ranging from 1.83–1.87 Å. Ag1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Ag–O bond length is 2.36 Å. There are a spread of Ag–F bond distances ranging from 2.43–2.78 Å. O2- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one V5+ and one Ag1+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom.

Publication Date:
Other Number(s):
mp-1194388
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; VAgOF4; Ag-F-O-V
OSTI Identifier:
1744905
DOI:
https://doi.org/10.17188/1744905

Citation Formats

The Materials Project. Materials Data on VAgOF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744905.
The Materials Project. Materials Data on VAgOF4 by Materials Project. United States. doi:https://doi.org/10.17188/1744905
The Materials Project. 2020. "Materials Data on VAgOF4 by Materials Project". United States. doi:https://doi.org/10.17188/1744905. https://www.osti.gov/servlets/purl/1744905. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1744905,
title = {Materials Data on VAgOF4 by Materials Project},
author = {The Materials Project},
abstractNote = {VAgOF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. V5+ is bonded in a distorted trigonal bipyramidal geometry to one O2- and four F1- atoms. The V–O bond length is 1.62 Å. There are a spread of V–F bond distances ranging from 1.83–1.87 Å. Ag1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Ag–O bond length is 2.36 Å. There are a spread of Ag–F bond distances ranging from 2.43–2.78 Å. O2- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one V5+ and one Ag1+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom.},
doi = {10.17188/1744905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}