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Title: Materials Data on TaO2F by Materials Project

Abstract

TaO2F is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing TaO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.94 Å. Both Ta–F bond lengths are 2.05 Å. O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. F1- is bonded in a linear geometry to two equivalent Ta5+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1217888
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; TaO2F; F-O-Ta
OSTI Identifier:
1746464
DOI:
https://doi.org/10.17188/1746464

Citation Formats

The Materials Project. Materials Data on TaO2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746464.
The Materials Project. Materials Data on TaO2F by Materials Project. United States. doi:https://doi.org/10.17188/1746464
The Materials Project. 2020. "Materials Data on TaO2F by Materials Project". United States. doi:https://doi.org/10.17188/1746464. https://www.osti.gov/servlets/purl/1746464. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746464,
title = {Materials Data on TaO2F by Materials Project},
author = {The Materials Project},
abstractNote = {TaO2F is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing TaO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.94 Å. Both Ta–F bond lengths are 2.05 Å. O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. F1- is bonded in a linear geometry to two equivalent Ta5+ atoms.},
doi = {10.17188/1746464},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}