Materials Data on TiBrN by Materials Project
TiNBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TiNBr sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to four equivalent N3- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing TiBr2N4 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two shorter (2.01 Å) and two longer (2.02 Å) Ti–N bond lengths. Both Ti–Br bond lengths are 2.62 Å. N3- is bonded in a see-saw-like geometry to four equivalent Ti4+ atoms. Br1- is bonded in a distorted L-shaped geometry to two equivalent Ti4+ 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:
- 1202024
- Report Number(s):
- mp-27849
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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