The crystal structure described by TiAgF6 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Ag(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ag(1) atom. is represented by the CIF card [CIF]
data_TiAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   5.182
_cell_length_c   5.755
_cell_angle_alpha   93.447
_cell_angle_beta   116.613
_cell_angle_gamma   119.264
_symmetry_Int_Tables_number   1
_cell_volume   109.585
_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  0.000  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.846  0.707  0.287  1.0
  F  F3  1  0.154  0.293  0.713  1.0
  F  F4  1  0.474  0.884  0.730  1.0
  F  F5  1  0.526  0.116  0.270  1.0
  F  F6  1  0.869  0.597  0.738  1.0
  F  F7  1  0.131  0.403  0.262  1.0
[/CIF]
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The crystal structure described by TiAgF6 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Ag(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ag(1) atom. is represented by the CIF card [CIF]
data_TiAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   5.182
_cell_length_c   5.755
_cell_angle_alpha   93.447
_cell_angle_beta   116.613
_cell_angle_gamma   119.264
_symmetry_Int_Tables_number   1
_cell_volume   109.585
_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  0.000  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.846  0.707  0.287  1.0
  F  F3  1  0.154  0.293  0.713  1.0
  F  F4  1  0.474  0.884  0.730  1.0
  F  F5  1  0.526  0.116  0.270  1.0
  F  F6  1  0.869  0.597  0.738  1.0
  F  F7  1  0.131  0.403  0.262  1.0
[/CIF]
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