data_TiAg2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52
_cell_length_b   9.52
_cell_length_c   5.05
_cell_angle_alpha   104.28
_cell_angle_beta   104.28
_cell_angle_gamma   49.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2O3
_chemical_formula_sum   'Ti4 Ag8 O12'
_cell_volume   333.71
_cell_formula_units_Z   4
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  0.13  0.96  0.0  1.0
  Ti  Ti1  1  0.79  0.04  0.86  1.0
  Ti  Ti2  1  0.11  0.96  0.29  1.0
  Ti  Ti3  1  0.82  0.04  0.57  1.0
  Ag  Ag4  1  0.92  1.0  0.31  1.0
  Ag  Ag5  1  0.23  0.0  0.74  1.0
  Ag  Ag6  1  0.01  0.0  0.56  1.0
  Ag  Ag7  1  0.69  1.0  0.12  1.0
  Ag  Ag8  1  0.85  0.74  0.8  1.0
  Ag  Ag9  1  0.39  0.74  0.49  1.0
  Ag  Ag10  1  0.08  0.26  0.06  1.0
  Ag  Ag11  1  0.53  0.26  0.37  1.0
  O  O12  1  0.34  0.49  0.36  1.0
  O  O13  1  0.27  0.49  0.07  1.0
  O  O14  1  0.58  0.51  0.5  1.0
  O  O15  1  0.66  0.51  0.8  1.0
  O  O16  1  0.88  0.58  0.16  1.0
  O  O17  1  0.73  0.58  0.27  1.0
  O  O18  1  0.05  0.42  0.71  1.0
  O  O19  1  0.62  0.06  0.65  1.0
  O  O20  1  0.31  0.56  0.22  1.0
  O  O21  1  0.62  0.44  0.65  1.0
  O  O22  1  0.31  0.94  0.22  1.0
  O  O23  1  0.19  0.42  0.59  1.0

data_TiAg2O3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.05
_cell_length_b   7.94
_cell_length_c   9.52
_cell_angle_alpha   114.65
_cell_angle_beta   104.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiAg2O3
_chemical_formula_sum   'Ti4 Ag8 O12'
_cell_volume   333.71
_cell_formula_units_Z   4
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  0.07  0.96  0.13  1.0
  Ti  Ti1  2  0.36  0.96  0.1  1.0
  Ag  Ag2  2  0.13  0.26  0.38  1.0
  Ag  Ag3  2  0.19  1.0  0.73  1.0
  Ag  Ag4  2  0.38  1.0  0.95  1.0
  Ag  Ag5  2  0.44  0.26  0.83  1.0
  O  O6  2  0.14  0.49  0.8  1.0
  O  O7  2  0.23  0.58  0.5  1.0
  O  O8  2  0.28  0.94  0.28  1.0
  O  O9  2  0.28  0.56  0.9  1.0
  O  O10  2  0.34  0.58  0.35  1.0
  O  O11  2  0.43  0.49  0.87  1.0

Ti Ti Ti Ti Ag Ag Ag Ag Ag Ag Ag Ag O O O O O O O O O O O O
Ti Ti Ti Ti Ag Ag Ag Ag Ag Ag Ag Ag O O O O O O O O O O O O 0 2 o o o 0 22 o o o 0 5 o + - 0 10 o + o 1 19 o o o 1 3 o o o 1 7 o - + 1 8 o - o 2 6 o + o 2 4 - o o 2 5 o + o 2 22 o o o 3 6 + o o 3 4 o - o 3 7 o - o 3 19 o o o 4 6 + + o 4 7 o o o 5 9 o - o 5 6 o o o 5 22 o - + 5 10 o o + 7 8 o o - 7 19 o + - 7 11 o + o 8 18 + o o 8 16 o o + 8 19 o + o 9 14 o o o 10 22 o - o 10 18 o o - 10 16 - o o 11 12 o o o 12 20 o o o 13 20 o o o 14 21 o o o 15 21 o o o 16 17 o o o 18 23 o o o 
Ag2OTiO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(2), one Ag(1), one Ag(2), and one O(5) atom. The Ti(1)-Ti(2) bond length is 1.52 Å. The Ti(1)-Ag(1) bond length is 2.29 Å. The Ti(1)-Ag(2) bond length is 2.10 Å. The Ti(1)-O(5) bond length is 1.64 Å. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to one Ti(1), one Ag(2), one Ag(4), two equivalent Ag(1), one O(5), and one O(6) atom. The Ti(2)-Ag(2) bond length is 2.37 Å. The Ti(2)-Ag(4) bond length is 2.25 Å. There is one shorter (1.60 Å) and one longer (1.63 Å) Ti(2)-Ag(1) bond length. The Ti(2)-O(5) bond length is 1.90 Å. The Ti(2)-O(6) bond length is 2.88 Å. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Ti(2), one Ag(1), and one Ag(2) atom. The Ag(1)-Ag(1) bond length is 1.36 Å. The Ag(1)-Ag(2) bond length is 2.11 Å. In the second Ag site, Ag(2) is bonded to one Ti(1), one Ti(2), one Ag(1), one Ag(3), one Ag(4), and two equivalent O(5) atoms to form distorted corner-sharing AgTi2Ag3O2 pentagonal bipyramids. The Ag(2)-Ag(3) bond length is 2.30 Å. The Ag(2)-Ag(4) bond length is 2.14 Å. There is one shorter (2.47 Å) and one longer (2.71 Å) Ag(2)-O(5) bond length. In the third Ag site, Ag(3) is bonded in a 3-coordinate geometry to one Ag(2), one O(5), and two equivalent O(3) atoms. The Ag(3)-O(5) bond length is 2.53 Å. There is one shorter (2.32 Å) and one longer (2.45 Å) Ag(3)-O(3) bond length. In the fourth Ag site, Ag(4) is bonded in a 1-coordinate geometry to one Ti(2), one Ag(2), one O(1), one O(2), and one O(6) atom. The Ag(4)-O(1) bond length is 1.70 Å. The Ag(4)-O(2) bond length is 2.46 Å. The Ag(4)-O(6) bond length is 2.38 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ag(4), one O(2), and one O(6) atom. The O(1)-O(2) bond length is 1.50 Å. The O(1)-O(6) bond length is 0.97 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ag(4), one O(1), and one O(6) atom. The O(2)-O(6) bond length is 1.03 Å. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ag(3) and one O(4) atom. The O(3)-O(4) bond length is 1.66 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Ti(1), one Ti(2), one Ag(3), and two equivalent Ag(2) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(2), one Ag(4), one O(1), and one O(2) atom.