The material structure described by TiAg2(O3I)6 crystallizes in the trigonal R-3 space group. Ti(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Ag(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ag(1) and one I(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent I(1) atoms. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one I(1) atom. I(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAg2(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.469
_cell_length_b   7.469
_cell_length_c   7.469
_cell_angle_alpha   95.779
_cell_angle_beta   95.779
_cell_angle_gamma   95.779
_symmetry_Int_Tables_number   1
_cell_volume   409.918
_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  0.000  0.000  1.0
  Ag  Ag1  1  0.679  0.679  0.679  1.0
  Ag  Ag2  1  0.321  0.321  0.321  1.0
  I  I3  1  0.220  0.625  0.834  1.0
  I  I4  1  0.625  0.834  0.220  1.0
  I  I5  1  0.834  0.220  0.625  1.0
  I  I6  1  0.780  0.375  0.166  1.0
  I  I7  1  0.375  0.166  0.780  1.0
  I  I8  1  0.166  0.780  0.375  1.0
  O  O9  1  0.063  0.811  0.821  1.0
  O  O10  1  0.811  0.821  0.063  1.0
  O  O11  1  0.821  0.063  0.811  1.0
  O  O12  1  0.937  0.189  0.179  1.0
  O  O13  1  0.189  0.179  0.937  1.0
  O  O14  1  0.179  0.937  0.189  1.0
  O  O15  1  0.428  0.784  0.865  1.0
  O  O16  1  0.784  0.865  0.428  1.0
  O  O17  1  0.865  0.428  0.784  1.0
  O  O18  1  0.572  0.216  0.135  1.0
  O  O19  1  0.216  0.135  0.572  1.0
  O  O20  1  0.135  0.572  0.216  1.0
  O  O21  1  0.188  0.565  0.587  1.0
  O  O22  1  0.565  0.587  0.188  1.0
  O  O23  1  0.587  0.188  0.565  1.0
  O  O24  1  0.812  0.435  0.413  1.0
  O  O25  1  0.435  0.413  0.812  1.0
  O  O26  1  0.413  0.812  0.435  1.0
[/CIF]
.
The material structure described by TiAg2(O3I)6 crystallizes in the trigonal R-3 space group. Ti(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Ag(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ag(1) and one I(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent I(1) atoms. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one I(1) atom. I(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAg2(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.469
_cell_length_b   7.469
_cell_length_c   7.469
_cell_angle_alpha   95.779
_cell_angle_beta   95.779
_cell_angle_gamma   95.779
_symmetry_Int_Tables_number   1
_cell_volume   409.918
_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  0.000  0.000  1.0
  Ag  Ag1  1  0.679  0.679  0.679  1.0
  Ag  Ag2  1  0.321  0.321  0.321  1.0
  I  I3  1  0.220  0.625  0.834  1.0
  I  I4  1  0.625  0.834  0.220  1.0
  I  I5  1  0.834  0.220  0.625  1.0
  I  I6  1  0.780  0.375  0.166  1.0
  I  I7  1  0.375  0.166  0.780  1.0
  I  I8  1  0.166  0.780  0.375  1.0
  O  O9  1  0.063  0.811  0.821  1.0
  O  O10  1  0.811  0.821  0.063  1.0
  O  O11  1  0.821  0.063  0.811  1.0
  O  O12  1  0.937  0.189  0.179  1.0
  O  O13  1  0.189  0.179  0.937  1.0
  O  O14  1  0.179  0.937  0.189  1.0
  O  O15  1  0.428  0.784  0.865  1.0
  O  O16  1  0.784  0.865  0.428  1.0
  O  O17  1  0.865  0.428  0.784  1.0
  O  O18  1  0.572  0.216  0.135  1.0
  O  O19  1  0.216  0.135  0.572  1.0
  O  O20  1  0.135  0.572  0.216  1.0
  O  O21  1  0.188  0.565  0.587  1.0
  O  O22  1  0.565  0.587  0.188  1.0
  O  O23  1  0.587  0.188  0.565  1.0
  O  O24  1  0.812  0.435  0.413  1.0
  O  O25  1  0.435  0.413  0.812  1.0
  O  O26  1  0.413  0.812  0.435  1.0
[/CIF]
.