The crystal structure described by Ti2AgBiO6 crystallizes in the tetragonal I-42m space group. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Ag(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Ag(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1), two equivalent Ag(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Ti2AgBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   5.538
_cell_angle_alpha   120.792
_cell_angle_beta   120.792
_cell_angle_gamma   88.633
_symmetry_Int_Tables_number   1
_cell_volume   118.624
_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  0.250  0.750  0.500  1.0
  Ti  Ti1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.956  0.567  0.000  1.0
  O  O5  1  0.567  0.956  0.000  1.0
  O  O6  1  0.433  0.433  0.388  1.0
  O  O7  1  0.044  0.044  0.612  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Ti2AgBiO6 crystallizes in the tetragonal I-42m space group. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Ag(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Ag(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1), two equivalent Ag(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Ti2AgBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   5.538
_cell_angle_alpha   120.792
_cell_angle_beta   120.792
_cell_angle_gamma   88.633
_symmetry_Int_Tables_number   1
_cell_volume   118.624
_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  0.250  0.750  0.500  1.0
  Ti  Ti1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.956  0.567  0.000  1.0
  O  O5  1  0.567  0.956  0.000  1.0
  O  O6  1  0.433  0.433  0.388  1.0
  O  O7  1  0.044  0.044  0.612  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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