The crystal structure described by Na2MoO4 is Hausmannite-derived structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to six O(1,1) atoms. Mo(1) is bonded in a tetrahedral geometry to four O(1,1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_Na2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   7.071
_cell_length_c   6.047
_cell_angle_alpha   76.352
_cell_angle_beta   57.511
_cell_angle_gamma   46.111
_symmetry_Int_Tables_number   1
_cell_volume   206.382
_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  0.819  0.181  0.819  1.0
  Na  Na1  1  0.181  0.818  0.181  1.0
  Na  Na2  1  0.069  0.432  0.069  1.0
  Na  Na3  1  0.431  0.069  0.431  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  Mo  Mo5  1  0.750  0.750  0.750  1.0
  O  O6  1  0.774  0.881  0.935  1.0
  O  O7  1  0.410  0.935  0.881  1.0
  O  O8  1  0.935  0.410  0.774  1.0
  O  O9  1  0.880  0.774  0.410  1.0
  O  O10  1  0.476  0.369  0.315  1.0
  O  O11  1  0.840  0.315  0.369  1.0
  O  O12  1  0.370  0.475  0.840  1.0
  O  O13  1  0.315  0.840  0.476  1.0
[/CIF]
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The crystal structure described by Na2MoO4 is Hausmannite-derived structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to six O(1,1) atoms. Mo(1) is bonded in a tetrahedral geometry to four O(1,1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_Na2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   7.071
_cell_length_c   6.047
_cell_angle_alpha   76.352
_cell_angle_beta   57.511
_cell_angle_gamma   46.111
_symmetry_Int_Tables_number   1
_cell_volume   206.382
_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  0.819  0.181  0.819  1.0
  Na  Na1  1  0.181  0.818  0.181  1.0
  Na  Na2  1  0.069  0.432  0.069  1.0
  Na  Na3  1  0.431  0.069  0.431  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  Mo  Mo5  1  0.750  0.750  0.750  1.0
  O  O6  1  0.774  0.881  0.935  1.0
  O  O7  1  0.410  0.935  0.881  1.0
  O  O8  1  0.935  0.410  0.774  1.0
  O  O9  1  0.880  0.774  0.410  1.0
  O  O10  1  0.476  0.369  0.315  1.0
  O  O11  1  0.840  0.315  0.369  1.0
  O  O12  1  0.370  0.475  0.840  1.0
  O  O13  1  0.315  0.840  0.476  1.0
[/CIF]
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