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Title: Materials Data on TiOF by Materials Project

Abstract

TiOF is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing TiO3F3 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of Ti–O bond distances ranging from 1.90–1.97 Å. There are two shorter (2.17 Å) and one longer (2.20 Å) Ti–F bond lengths. O2- is bonded in a 3-coordinate geometry to three equivalent Ti3+ atoms. F1- is bonded in a distorted trigonal planar geometry to three equivalent Ti3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-753708
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; TiOF; F-O-Ti
OSTI Identifier:
1289105
DOI:
https://doi.org/10.17188/1289105

Citation Formats

The Materials Project. Materials Data on TiOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289105.
The Materials Project. Materials Data on TiOF by Materials Project. United States. doi:https://doi.org/10.17188/1289105
The Materials Project. 2020. "Materials Data on TiOF by Materials Project". United States. doi:https://doi.org/10.17188/1289105. https://www.osti.gov/servlets/purl/1289105. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289105,
title = {Materials Data on TiOF by Materials Project},
author = {The Materials Project},
abstractNote = {TiOF is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing TiO3F3 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of Ti–O bond distances ranging from 1.90–1.97 Å. There are two shorter (2.17 Å) and one longer (2.20 Å) Ti–F bond lengths. O2- is bonded in a 3-coordinate geometry to three equivalent Ti3+ atoms. F1- is bonded in a distorted trigonal planar geometry to three equivalent Ti3+ atoms.},
doi = {10.17188/1289105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}