Materials Data on TiOF by Materials Project
TiOF crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TiOF sheet oriented in the (0, 0, 1) direction. 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 4°. There are two shorter (2.02 Å) and two longer (2.07 Å) Ti–O bond lengths. Both Ti–F bond lengths are 2.01 Å. O2- is bonded in a rectangular see-saw-like geometry to four equivalent Ti3+ atoms. F1- is bonded in a water-like geometry to two equivalent Ti3+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1288893
- Report Number(s):
- mp-753059
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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