The crystal structure described by Na4Mg(MoO4)2 crystallizes in the trigonal R-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. In the second Na site, Na(2) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with six equivalent Na(2)O6 octahedra and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Mo(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing ONa3MgMo trigonal bipyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_Na4Mg(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.791
_cell_length_b   6.565
_cell_length_c   6.565
_cell_angle_alpha   60.000
_cell_angle_beta   61.095
_cell_angle_gamma   61.095
_symmetry_Int_Tables_number   1
_cell_volume   210.319
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.453  0.349  0.349  1.0
  Mo  Mo6  1  0.547  0.651  0.651  1.0
  O  O7  1  0.735  0.728  0.728  1.0
  O  O8  1  0.265  0.272  0.691  1.0
  O  O9  1  0.265  0.691  0.272  1.0
  O  O10  1  0.776  0.241  0.241  1.0
  O  O11  1  0.735  0.309  0.728  1.0
  O  O12  1  0.224  0.759  0.759  1.0
  O  O13  1  0.265  0.272  0.272  1.0
  O  O14  1  0.735  0.728  0.309  1.0
[/CIF]
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The crystal structure described by Na4Mg(MoO4)2 crystallizes in the trigonal R-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. In the second Na site, Na(2) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with six equivalent Na(2)O6 octahedra and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Mo(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing ONa3MgMo trigonal bipyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_Na4Mg(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.791
_cell_length_b   6.565
_cell_length_c   6.565
_cell_angle_alpha   60.000
_cell_angle_beta   61.095
_cell_angle_gamma   61.095
_symmetry_Int_Tables_number   1
_cell_volume   210.319
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.453  0.349  0.349  1.0
  Mo  Mo6  1  0.547  0.651  0.651  1.0
  O  O7  1  0.735  0.728  0.728  1.0
  O  O8  1  0.265  0.272  0.691  1.0
  O  O9  1  0.265  0.691  0.272  1.0
  O  O10  1  0.776  0.241  0.241  1.0
  O  O11  1  0.735  0.309  0.728  1.0
  O  O12  1  0.224  0.759  0.759  1.0
  O  O13  1  0.265  0.272  0.272  1.0
  O  O14  1  0.735  0.728  0.309  1.0
[/CIF]
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