Materials Data on TiH6(OF3)2 by Materials Project
TiH6(OF3)2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one TiH6(OF3)2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded in a distorted octahedral geometry to six equivalent F1- atoms. All Ti–F bond lengths are 1.90 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.53 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ atoms. F1- is bonded in a bent 120 degrees geometry to one Ti4+ and one H1+ 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:
- 1704721
- Report Number(s):
- mp-1208179
- Country of Publication:
- United States
- Language:
- English
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