The material described by NaTi2BiO6 crystallizes in the orthorhombic Cmm2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Na(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Na(1), two equivalent Ti(1), and one Bi(1) atom to form distorted corner-sharing ONaTi2Bi trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ti(1), 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   5.477
_cell_length_b   5.477
_cell_length_c   4.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.644
_symmetry_Int_Tables_number   1
_cell_volume   126.900
_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  0.000  0.000  0.565  1.0
  Ti  Ti1  1  0.500  0.000  0.023  1.0
  Ti  Ti2  1  0.000  0.500  0.023  1.0
  Bi  Bi3  1  0.500  0.500  0.611  1.0
  O  O4  1  0.500  0.000  0.440  1.0
  O  O5  1  0.000  0.500  0.440  1.0
  O  O6  1  0.734  0.734  0.937  1.0
  O  O7  1  0.266  0.266  0.937  1.0
  O  O8  1  0.751  0.249  0.921  1.0
  O  O9  1  0.249  0.751  0.921  1.0
[/CIF]
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The material described by NaTi2BiO6 crystallizes in the orthorhombic Cmm2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Na(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Na(1), two equivalent Ti(1), and one Bi(1) atom to form distorted corner-sharing ONaTi2Bi trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ti(1), 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   5.477
_cell_length_b   5.477
_cell_length_c   4.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.644
_symmetry_Int_Tables_number   1
_cell_volume   126.900
_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  0.000  0.000  0.565  1.0
  Ti  Ti1  1  0.500  0.000  0.023  1.0
  Ti  Ti2  1  0.000  0.500  0.023  1.0
  Bi  Bi3  1  0.500  0.500  0.611  1.0
  O  O4  1  0.500  0.000  0.440  1.0
  O  O5  1  0.000  0.500  0.440  1.0
  O  O6  1  0.734  0.734  0.937  1.0
  O  O7  1  0.266  0.266  0.937  1.0
  O  O8  1  0.751  0.249  0.921  1.0
  O  O9  1  0.249  0.751  0.921  1.0
[/CIF]
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