The material structure described by NaTi2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Na(1) is bonded to four equivalent O(1) atoms to form NaO4 tetrahedra that share corners with twelve equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra and edges with six equivalent Ti(1)O6 octahedra. O(1) is bonded to one Na(1) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing ONaTi3 tetrahedra. is represented by the CIF file [CIF]
data_NaTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.112
_cell_length_b   6.112
_cell_length_c   6.112
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   161.458
_cell_formula_units_Z   2
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  0.750  0.750  0.750  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.125  0.125  0.625  1.0
  Ti  Ti3  1  0.125  0.625  0.125  1.0
  Ti  Ti4  1  0.625  0.125  0.125  1.0
  Ti  Ti5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.320  0.893  0.893  1.0
  O  O7  1  0.893  0.893  0.893  1.0
  O  O8  1  0.893  0.320  0.893  1.0
  O  O9  1  0.893  0.893  0.320  1.0
  O  O10  1  0.357  0.930  0.357  1.0
  O  O11  1  0.357  0.357  0.930  1.0
  O  O12  1  0.930  0.357  0.357  1.0
  O  O13  1  0.357  0.357  0.357  1.0
[/CIF]
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The material structure described by NaTi2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Na(1) is bonded to four equivalent O(1) atoms to form NaO4 tetrahedra that share corners with twelve equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra and edges with six equivalent Ti(1)O6 octahedra. O(1) is bonded to one Na(1) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing ONaTi3 tetrahedra. is represented by the CIF file [CIF]
data_NaTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.112
_cell_length_b   6.112
_cell_length_c   6.112
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   161.458
_cell_formula_units_Z   2
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  0.750  0.750  0.750  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.125  0.125  0.625  1.0
  Ti  Ti3  1  0.125  0.625  0.125  1.0
  Ti  Ti4  1  0.625  0.125  0.125  1.0
  Ti  Ti5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.320  0.893  0.893  1.0
  O  O7  1  0.893  0.893  0.893  1.0
  O  O8  1  0.893  0.320  0.893  1.0
  O  O9  1  0.893  0.893  0.320  1.0
  O  O10  1  0.357  0.930  0.357  1.0
  O  O11  1  0.357  0.357  0.930  1.0
  O  O12  1  0.930  0.357  0.357  1.0
  O  O13  1  0.357  0.357  0.357  1.0
[/CIF]
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