Materials Data on TiBrO by Materials Project
TiOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TiOBr sheet oriented in the (0, 0, 1) direction. Ti3+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing TiBr2O4 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two shorter (2.03 Å) and two longer (2.08 Å) Ti–O bond lengths. Both Ti–Br bond lengths are 2.59 Å. O2- is bonded in a see-saw-like geometry to four equivalent Ti3+ atoms. Br1- is bonded in an L-shaped 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:
- 1199155
- Report Number(s):
- mp-23002
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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