The material described by TiF3 is alpha Rhenium trioxide-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Ti site, Ti(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. is represented by the CIF card [CIF]
data_TiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.618
_cell_length_b   5.544
_cell_length_c   5.563
_cell_angle_alpha   59.107
_cell_angle_beta   59.381
_cell_angle_gamma   59.191
_symmetry_Int_Tables_number   1
_cell_volume   120.369
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.220  0.277  0.753  1.0
  F  F3  1  0.255  0.775  0.715  1.0
  F  F4  1  0.780  0.723  0.247  1.0
  F  F5  1  0.722  0.245  0.784  1.0
  F  F6  1  0.745  0.225  0.285  1.0
  F  F7  1  0.278  0.755  0.216  1.0
[/CIF]
.
The material described by TiF3 is alpha Rhenium trioxide-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Ti site, Ti(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. is represented by the CIF card [CIF]
data_TiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.618
_cell_length_b   5.544
_cell_length_c   5.563
_cell_angle_alpha   59.107
_cell_angle_beta   59.381
_cell_angle_gamma   59.191
_symmetry_Int_Tables_number   1
_cell_volume   120.369
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.220  0.277  0.753  1.0
  F  F3  1  0.255  0.775  0.715  1.0
  F  F4  1  0.780  0.723  0.247  1.0
  F  F5  1  0.722  0.245  0.784  1.0
  F  F6  1  0.745  0.225  0.285  1.0
  F  F7  1  0.278  0.755  0.216  1.0
[/CIF]
.