Materials Data on TiOF by Materials Project
Abstract
TiOF crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti3+ is bonded to four equivalent O2- and two equivalent F1- atoms to form a mixture of edge and corner-sharing TiO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 2.04 Å. Both Ti–F bond lengths are 1.98 Å. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms. F1- is bonded in a linear geometry to two equivalent Ti3+ atoms.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1272690
- Report Number(s):
- mp-753657
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; TiOF; F-O-Ti
Citation Formats
The Materials Project. Materials Data on TiOF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272690.
The Materials Project. Materials Data on TiOF by Materials Project. United States. https://doi.org/10.17188/1272690
The Materials Project. 2020.
"Materials Data on TiOF by Materials Project". United States. https://doi.org/10.17188/1272690. https://www.osti.gov/servlets/purl/1272690.
@article{osti_1272690,
title = {Materials Data on TiOF by Materials Project},
author = {The Materials Project},
abstractNote = {TiOF crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti3+ is bonded to four equivalent O2- and two equivalent F1- atoms to form a mixture of edge and corner-sharing TiO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 2.04 Å. Both Ti–F bond lengths are 1.98 Å. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms. F1- is bonded in a linear geometry to two equivalent Ti3+ atoms.},
doi = {10.17188/1272690},
url = {https://www.osti.gov/biblio/1272690},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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