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Title: Materials Data on TaF5 by Materials Project

Abstract

TaF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two TaF5 ribbons oriented in the (0, 0, 1) direction. Ta5+ is bonded to six F1- atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Ta–F bond distances ranging from 1.88–2.06 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-3488
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; TaF5; F-Ta
OSTI Identifier:
1320589
DOI:
https://doi.org/10.17188/1320589

Citation Formats

The Materials Project. Materials Data on TaF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320589.
The Materials Project. Materials Data on TaF5 by Materials Project. United States. doi:https://doi.org/10.17188/1320589
The Materials Project. 2020. "Materials Data on TaF5 by Materials Project". United States. doi:https://doi.org/10.17188/1320589. https://www.osti.gov/servlets/purl/1320589. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1320589,
title = {Materials Data on TaF5 by Materials Project},
author = {The Materials Project},
abstractNote = {TaF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two TaF5 ribbons oriented in the (0, 0, 1) direction. Ta5+ is bonded to six F1- atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Ta–F bond distances ranging from 1.88–2.06 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms.},
doi = {10.17188/1320589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}