The material structure described by NaMoO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. Na(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Mo(1) is bonded to six equivalent O(1) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.541
_cell_length_c   5.541
_cell_angle_alpha   59.828
_cell_angle_beta   59.828
_cell_angle_gamma   59.828
_symmetry_Int_Tables_number   1
_cell_volume   119.816
_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  0.259  0.259  0.259  1.0
  Na  Na1  1  0.759  0.759  0.759  1.0
  Mo  Mo2  1  0.005  0.005  0.005  1.0
  Mo  Mo3  1  0.505  0.505  0.505  1.0
  O  O4  1  0.799  0.255  0.711  1.0
  O  O5  1  0.711  0.799  0.255  1.0
  O  O6  1  0.255  0.711  0.799  1.0
  O  O7  1  0.299  0.211  0.755  1.0
  O  O8  1  0.211  0.755  0.299  1.0
  O  O9  1  0.755  0.299  0.211  1.0
[/CIF]
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The material structure described by NaMoO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. Na(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Mo(1) is bonded to six equivalent O(1) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.541
_cell_length_c   5.541
_cell_angle_alpha   59.828
_cell_angle_beta   59.828
_cell_angle_gamma   59.828
_symmetry_Int_Tables_number   1
_cell_volume   119.816
_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  0.259  0.259  0.259  1.0
  Na  Na1  1  0.759  0.759  0.759  1.0
  Mo  Mo2  1  0.005  0.005  0.005  1.0
  Mo  Mo3  1  0.505  0.505  0.505  1.0
  O  O4  1  0.799  0.255  0.711  1.0
  O  O5  1  0.711  0.799  0.255  1.0
  O  O6  1  0.255  0.711  0.799  1.0
  O  O7  1  0.299  0.211  0.755  1.0
  O  O8  1  0.211  0.755  0.299  1.0
  O  O9  1  0.755  0.299  0.211  1.0
[/CIF]
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