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Title: Materials Data on TaF5 by Materials Project

Abstract

TaF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two TaF5 sheets oriented in the (0, 0, 1) direction. Ta5+ is bonded to eight F1- atoms to form a mixture of corner and edge-sharing TaF8 hexagonal bipyramids. There are a spread of Ta–F bond distances ranging from 1.87–2.22 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Ta5+ atoms. 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 linear geometry to two equivalent Ta5+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-13836
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:
1318982
DOI:
https://doi.org/10.17188/1318982

Citation Formats

The Materials Project. Materials Data on TaF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318982.
The Materials Project. Materials Data on TaF5 by Materials Project. United States. doi:https://doi.org/10.17188/1318982
The Materials Project. 2020. "Materials Data on TaF5 by Materials Project". United States. doi:https://doi.org/10.17188/1318982. https://www.osti.gov/servlets/purl/1318982. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318982,
title = {Materials Data on TaF5 by Materials Project},
author = {The Materials Project},
abstractNote = {TaF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two TaF5 sheets oriented in the (0, 0, 1) direction. Ta5+ is bonded to eight F1- atoms to form a mixture of corner and edge-sharing TaF8 hexagonal bipyramids. There are a spread of Ta–F bond distances ranging from 1.87–2.22 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Ta5+ atoms. 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 linear geometry to two equivalent Ta5+ atoms.},
doi = {10.17188/1318982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}