Materials Data on Ti(NF2)3 by Materials Project
TiNF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one TiNF6 framework. In the TiNF6 framework, Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.91 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 2.08 Å. F1- is bonded in a distorted linear geometry to one Ti3+ and one N1+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1746680
- Report Number(s):
- mp-1080110
- Country of Publication:
- United States
- Language:
- English
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