DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TaAgF6 by Materials Project

Abstract

AgTaF6 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Ta5+ is bonded in an octahedral geometry to six F1- atoms. All Ta–F bond lengths are 1.93 Å. Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.49 Å) and four longer (2.96 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ and two equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Ag1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-29993
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; TaAgF6; Ag-F-Ta
OSTI Identifier:
1204426
DOI:
https://doi.org/10.17188/1204426

Citation Formats

The Materials Project. Materials Data on TaAgF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204426.
The Materials Project. Materials Data on TaAgF6 by Materials Project. United States. doi:https://doi.org/10.17188/1204426
The Materials Project. 2020. "Materials Data on TaAgF6 by Materials Project". United States. doi:https://doi.org/10.17188/1204426. https://www.osti.gov/servlets/purl/1204426. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204426,
title = {Materials Data on TaAgF6 by Materials Project},
author = {The Materials Project},
abstractNote = {AgTaF6 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Ta5+ is bonded in an octahedral geometry to six F1- atoms. All Ta–F bond lengths are 1.93 Å. Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.49 Å) and four longer (2.96 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ and two equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Ag1+ atom.},
doi = {10.17188/1204426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}