The compound described by TiCdF6 crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. Cd(1) is bonded to six equivalent F(1) atoms to form CdF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. F(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Cd(1) atom. is represented by the CIF card [CIF]
data_TiCdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   5.665
_cell_length_c   5.665
_cell_angle_alpha   55.239
_cell_angle_beta   55.239
_cell_angle_gamma   55.239
_symmetry_Int_Tables_number   1
_cell_volume   114.356
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.857  0.594  0.276  1.0
  F  F3  1  0.724  0.143  0.406  1.0
  F  F4  1  0.276  0.857  0.594  1.0
  F  F5  1  0.594  0.276  0.857  1.0
  F  F6  1  0.143  0.406  0.724  1.0
  F  F7  1  0.406  0.724  0.143  1.0
[/CIF]
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The compound described by TiCdF6 crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. Cd(1) is bonded to six equivalent F(1) atoms to form CdF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. F(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Cd(1) atom. is represented by the CIF card [CIF]
data_TiCdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   5.665
_cell_length_c   5.665
_cell_angle_alpha   55.239
_cell_angle_beta   55.239
_cell_angle_gamma   55.239
_symmetry_Int_Tables_number   1
_cell_volume   114.356
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.857  0.594  0.276  1.0
  F  F3  1  0.724  0.143  0.406  1.0
  F  F4  1  0.276  0.857  0.594  1.0
  F  F5  1  0.594  0.276  0.857  1.0
  F  F6  1  0.143  0.406  0.724  1.0
  F  F7  1  0.406  0.724  0.143  1.0
[/CIF]
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