The material structure described by NaTaO3 crystallizes in the cubic Fd-3m space group. Na(1) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 43°. O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_NaTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.423
_cell_length_b   7.423
_cell_length_c   7.423
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   289.207
_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  0.125  0.625  0.625  1.0
  Na  Na1  1  0.625  0.625  0.625  1.0
  Na  Na2  1  0.625  0.625  0.125  1.0
  Na  Na3  1  0.625  0.125  0.625  1.0
  Ta  Ta4  1  0.125  0.125  0.125  1.0
  Ta  Ta5  1  0.625  0.125  0.125  1.0
  Ta  Ta6  1  0.125  0.125  0.625  1.0
  Ta  Ta7  1  0.125  0.625  0.125  1.0
  O  O8  1  0.805  0.195  0.195  1.0
  O  O9  1  0.445  0.055  0.445  1.0
  O  O10  1  0.445  0.445  0.055  1.0
  O  O11  1  0.055  0.055  0.445  1.0
  O  O12  1  0.055  0.445  0.055  1.0
  O  O13  1  0.195  0.805  0.805  1.0
  O  O14  1  0.055  0.445  0.445  1.0
  O  O15  1  0.195  0.805  0.195  1.0
  O  O16  1  0.805  0.805  0.195  1.0
  O  O17  1  0.195  0.195  0.805  1.0
  O  O18  1  0.805  0.195  0.805  1.0
  O  O19  1  0.445  0.055  0.055  1.0
[/CIF]
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The material structure described by NaTaO3 crystallizes in the cubic Fd-3m space group. Na(1) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 43°. O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_NaTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.423
_cell_length_b   7.423
_cell_length_c   7.423
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   289.207
_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  0.125  0.625  0.625  1.0
  Na  Na1  1  0.625  0.625  0.625  1.0
  Na  Na2  1  0.625  0.625  0.125  1.0
  Na  Na3  1  0.625  0.125  0.625  1.0
  Ta  Ta4  1  0.125  0.125  0.125  1.0
  Ta  Ta5  1  0.625  0.125  0.125  1.0
  Ta  Ta6  1  0.125  0.125  0.625  1.0
  Ta  Ta7  1  0.125  0.625  0.125  1.0
  O  O8  1  0.805  0.195  0.195  1.0
  O  O9  1  0.445  0.055  0.445  1.0
  O  O10  1  0.445  0.445  0.055  1.0
  O  O11  1  0.055  0.055  0.445  1.0
  O  O12  1  0.055  0.445  0.055  1.0
  O  O13  1  0.195  0.805  0.805  1.0
  O  O14  1  0.055  0.445  0.445  1.0
  O  O15  1  0.195  0.805  0.195  1.0
  O  O16  1  0.805  0.805  0.195  1.0
  O  O17  1  0.195  0.195  0.805  1.0
  O  O18  1  0.805  0.195  0.805  1.0
  O  O19  1  0.445  0.055  0.055  1.0
[/CIF]
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