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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.

36 MATERIALS SCIENCE↗