The material structure described by NaTiO2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. O(1) is bonded to three equivalent Na(1) and three equivalent Ti(1) atoms to form a mixture of edge and corner-sharing ONa3Ti3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   6.235
_cell_length_c   6.235
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   171.377
_cell_formula_units_Z   4
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  0.625  0.625  0.125  1.0
  Na  Na1  1  0.625  0.625  0.625  1.0
  Na  Na2  1  0.625  0.125  0.625  1.0
  Na  Na3  1  0.125  0.625  0.625  1.0
  Ti  Ti4  1  0.625  0.125  0.125  1.0
  Ti  Ti5  1  0.125  0.125  0.125  1.0
  Ti  Ti6  1  0.125  0.625  0.125  1.0
  Ti  Ti7  1  0.125  0.125  0.625  1.0
  O  O8  1  0.916  0.361  0.361  1.0
  O  O9  1  0.889  0.889  0.334  1.0
  O  O10  1  0.361  0.916  0.361  1.0
  O  O11  1  0.361  0.361  0.361  1.0
  O  O12  1  0.889  0.889  0.889  1.0
  O  O13  1  0.889  0.334  0.889  1.0
  O  O14  1  0.361  0.361  0.916  1.0
  O  O15  1  0.334  0.889  0.889  1.0
[/CIF]
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The material structure described by NaTiO2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. O(1) is bonded to three equivalent Na(1) and three equivalent Ti(1) atoms to form a mixture of edge and corner-sharing ONa3Ti3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   6.235
_cell_length_c   6.235
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   171.377
_cell_formula_units_Z   4
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  0.625  0.625  0.125  1.0
  Na  Na1  1  0.625  0.625  0.625  1.0
  Na  Na2  1  0.625  0.125  0.625  1.0
  Na  Na3  1  0.125  0.625  0.625  1.0
  Ti  Ti4  1  0.625  0.125  0.125  1.0
  Ti  Ti5  1  0.125  0.125  0.125  1.0
  Ti  Ti6  1  0.125  0.625  0.125  1.0
  Ti  Ti7  1  0.125  0.125  0.625  1.0
  O  O8  1  0.916  0.361  0.361  1.0
  O  O9  1  0.889  0.889  0.334  1.0
  O  O10  1  0.361  0.916  0.361  1.0
  O  O11  1  0.361  0.361  0.361  1.0
  O  O12  1  0.889  0.889  0.889  1.0
  O  O13  1  0.889  0.334  0.889  1.0
  O  O14  1  0.361  0.361  0.916  1.0
  O  O15  1  0.334  0.889  0.889  1.0
[/CIF]
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