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Title: Materials Data on TiOF by Materials Project

Abstract

TiOF is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ti3+ is bonded to four equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing TiO4F3 pentagonal bipyramids. There are a spread of Ti–O bond distances ranging from 2.04–2.07 Å. There are a spread of Ti–F bond distances ranging from 2.14–2.17 Å. O2- is bonded to four equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing OTi4 tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Ti3+ atoms.

Publication Date:
Other Number(s):
mp-752496
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiOF; F-O-Ti
OSTI Identifier:
1288612
DOI:
https://doi.org/10.17188/1288612

Citation Formats

The Materials Project. Materials Data on TiOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288612.
The Materials Project. Materials Data on TiOF by Materials Project. United States. doi:https://doi.org/10.17188/1288612
The Materials Project. 2020. "Materials Data on TiOF by Materials Project". United States. doi:https://doi.org/10.17188/1288612. https://www.osti.gov/servlets/purl/1288612. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288612,
title = {Materials Data on TiOF by Materials Project},
author = {The Materials Project},
abstractNote = {TiOF is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ti3+ is bonded to four equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing TiO4F3 pentagonal bipyramids. There are a spread of Ti–O bond distances ranging from 2.04–2.07 Å. There are a spread of Ti–F bond distances ranging from 2.14–2.17 Å. O2- is bonded to four equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing OTi4 tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Ti3+ atoms.},
doi = {10.17188/1288612},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}