data_TiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.04
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOF
_chemical_formula_sum   'Ti2 O2 F2'
_cell_volume   80.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.53  0.0  0.98  1.0
  Ti  Ti1  1  0.0  0.02  0.52  1.0
  O  O2  1  0.0  0.0  0.59  1.0
  O  O3  1  0.53  0.02  0.92  1.0
  F  F4  1  0.0  0.0  0.29  1.0
  F  F5  1  0.53  0.02  0.21  1.0

data_TiOF
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   4.04
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiOF
_chemical_formula_sum   'Ti2 O2 F2'
_cell_volume   80.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  2  0.26  0.99  0.73  1.0
  O  O1  2  0.26  0.01  0.66  1.0
  F  F2  2  0.26  0.01  0.96  1.0

Ti Ti O O F F
TiOF crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two TiOF clusters. Ti(1) is bonded in a distorted linear geometry to one O(1) and one F(1) atom. The Ti(1)-O(1) bond length is 0.43 Å. The Ti(1)-F(1) bond length is 1.52 Å. O(1) is bonded in a single-bond geometry to one Ti(1) atom. F(1) is bonded in a single-bond geometry to one Ti(1) atom.