The structure described by NaTi2BiO6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Bi(1) is bonded in an octahedral geometry to two 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 bent 150 degrees geometry to one Ti(1) and one Bi(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent Ti(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing ONaTi2Bi tetrahedra. is represented by the CIF file [CIF]
data_NaTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.056
_cell_length_c   5.638
_cell_angle_alpha   70.412
_cell_angle_beta   70.412
_cell_angle_gamma   53.932
_symmetry_Int_Tables_number   1
_cell_volume   154.864
_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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.232  0.232  0.400  1.0
  Ti  Ti2  1  0.768  0.768  0.600  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.177  0.177  0.147  1.0
  O  O5  1  0.823  0.823  0.853  1.0
  O  O6  1  0.122  0.623  0.351  1.0
  O  O7  1  0.377  0.878  0.649  1.0
  O  O8  1  0.878  0.377  0.649  1.0
  O  O9  1  0.623  0.122  0.351  1.0
[/CIF]
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The structure described by NaTi2BiO6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Bi(1) is bonded in an octahedral geometry to two 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 bent 150 degrees geometry to one Ti(1) and one Bi(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent Ti(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing ONaTi2Bi tetrahedra. is represented by the CIF file [CIF]
data_NaTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.056
_cell_length_c   5.638
_cell_angle_alpha   70.412
_cell_angle_beta   70.412
_cell_angle_gamma   53.932
_symmetry_Int_Tables_number   1
_cell_volume   154.864
_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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.232  0.232  0.400  1.0
  Ti  Ti2  1  0.768  0.768  0.600  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.177  0.177  0.147  1.0
  O  O5  1  0.823  0.823  0.853  1.0
  O  O6  1  0.122  0.623  0.351  1.0
  O  O7  1  0.377  0.878  0.649  1.0
  O  O8  1  0.878  0.377  0.649  1.0
  O  O9  1  0.623  0.122  0.351  1.0
[/CIF]
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