The structure described by NaTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three 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 one Na(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Ti(1), one Ti(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.605
_cell_length_b   5.605
_cell_length_c   5.605
_cell_angle_alpha   58.925
_cell_angle_beta   58.925
_cell_angle_gamma   58.925
_symmetry_Int_Tables_number   1
_cell_volume   121.466
_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
  Na  Na0  1  0.728  0.728  0.728  1.0
  Ti  Ti1  1  0.982  0.982  0.982  1.0
  Ti  Ti2  1  0.487  0.487  0.487  1.0
  Bi  Bi3  1  0.213  0.213  0.213  1.0
  O  O4  1  0.252  0.815  0.687  1.0
  O  O5  1  0.815  0.687  0.252  1.0
  O  O6  1  0.687  0.252  0.815  1.0
  O  O7  1  0.311  0.766  0.193  1.0
  O  O8  1  0.193  0.311  0.766  1.0
  O  O9  1  0.766  0.193  0.311  1.0
[/CIF]
.
The structure described by NaTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three 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 one Na(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Ti(1), one Ti(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.605
_cell_length_b   5.605
_cell_length_c   5.605
_cell_angle_alpha   58.925
_cell_angle_beta   58.925
_cell_angle_gamma   58.925
_symmetry_Int_Tables_number   1
_cell_volume   121.466
_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
  Na  Na0  1  0.728  0.728  0.728  1.0
  Ti  Ti1  1  0.982  0.982  0.982  1.0
  Ti  Ti2  1  0.487  0.487  0.487  1.0
  Bi  Bi3  1  0.213  0.213  0.213  1.0
  O  O4  1  0.252  0.815  0.687  1.0
  O  O5  1  0.815  0.687  0.252  1.0
  O  O6  1  0.687  0.252  0.815  1.0
  O  O7  1  0.311  0.766  0.193  1.0
  O  O8  1  0.193  0.311  0.766  1.0
  O  O9  1  0.766  0.193  0.311  1.0
[/CIF]
.