The compound described by Na2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with five equivalent Ti(1)O6 octahedra, and edges with seven equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with ten equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(1) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the CIF card [CIF]
data_Na2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   5.752
_cell_length_c   5.752
_cell_angle_alpha   149.476
_cell_angle_beta   136.612
_cell_angle_gamma   53.976
_symmetry_Int_Tables_number   1
_cell_volume   66.021
_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  0.674  0.674  0.000  1.0
  Na  Na1  1  0.326  0.326  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.128  0.628  0.500  1.0
  O  O4  1  0.872  0.372  0.500  1.0
  O  O5  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Na2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with five equivalent Ti(1)O6 octahedra, and edges with seven equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with ten equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(1) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the CIF card [CIF]
data_Na2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   5.752
_cell_length_c   5.752
_cell_angle_alpha   149.476
_cell_angle_beta   136.612
_cell_angle_gamma   53.976
_symmetry_Int_Tables_number   1
_cell_volume   66.021
_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  0.674  0.674  0.000  1.0
  Na  Na1  1  0.326  0.326  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.128  0.628  0.500  1.0
  O  O4  1  0.872  0.372  0.500  1.0
  O  O5  1  0.500  0.000  0.500  1.0
[/CIF]
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