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Geometry for (Titanium tetrafluoride) 1A1 TD

1910171554
InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4 INChIKey=XROWMBWRMNHXMF-UHFFFAOYSA-J

PBEPBEultrafine/aug-cc-pVTZ


Point group is Td
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ti1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 1.0177 1.0177 1.0177   1.0177 1.0177 1.0177
F3 -1.0177 -1.0177 1.0177   1.0177 -1.0177 -1.0177
F4 -1.0177 1.0177 -1.0177   -1.0177 1.0177 -1.0177
F5 1.0177 -1.0177 -1.0177   -1.0177 -1.0177 1.0177
Atom - Atom Distances (Å)
  Ti1 F2 F3 F4 F5
Ti1 1.7626 1.7626 1.7626 1.7626
F2 1.7626 2.8784 2.8784 2.8784
F3 1.7626 2.8784 2.8784 2.8784
F4 1.7626 2.8784 2.8784 2.8784
F5 1.7626 2.8784 2.8784 2.8784
Maximum atom distance is 2.8784Å between atoms F2 and F3.
picture of Titanium tetrafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Ti1 F3 109.471 F2 Ti1 F4 109.471
F2 Ti1 F5 109.471 F3 Ti1 F4 109.471
F3 Ti1 F5 109.471 F4 Ti1 F5 109.471

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.