The material structure described by Na4Mg(MoO4)2 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Na(2)O6 octahedra. Mg(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra, corners with two equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-67°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MoO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the second Mo site, Mo(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form MoO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-71°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Mo(2) atom. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), and one Mo(1) atom to form a mixture of corner and edge-sharing ONa3Mo tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mg(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.645
_cell_length_b   6.765
_cell_length_c   6.765
_cell_angle_alpha   57.112
_cell_angle_beta   60.584
_cell_angle_gamma   60.584
_symmetry_Int_Tables_number   1
_cell_volume   211.734
_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  0.095  0.931  0.931  1.0
  Na  Na1  1  0.004  0.018  0.475  1.0
  Na  Na2  1  0.004  0.475  0.018  1.0
  Na  Na3  1  0.543  0.931  0.931  1.0
  Mg  Mg4  1  0.596  0.154  0.154  1.0
  Mo  Mo5  1  0.311  0.439  0.439  1.0
  Mo  Mo6  1  0.649  0.601  0.601  1.0
  O  O7  1  0.790  0.698  0.698  1.0
  O  O8  1  0.239  0.250  0.771  1.0
  O  O9  1  0.239  0.771  0.250  1.0
  O  O10  1  0.659  0.298  0.298  1.0
  O  O11  1  0.731  0.249  0.789  1.0
  O  O12  1  0.314  0.698  0.698  1.0
  O  O13  1  0.245  0.298  0.298  1.0
  O  O14  1  0.731  0.789  0.249  1.0
[/CIF]
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The material structure described by Na4Mg(MoO4)2 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Na(2)O6 octahedra. Mg(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra, corners with two equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-67°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MoO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the second Mo site, Mo(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form MoO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-71°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Mo(2) atom. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), and one Mo(1) atom to form a mixture of corner and edge-sharing ONa3Mo tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mg(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.645
_cell_length_b   6.765
_cell_length_c   6.765
_cell_angle_alpha   57.112
_cell_angle_beta   60.584
_cell_angle_gamma   60.584
_symmetry_Int_Tables_number   1
_cell_volume   211.734
_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  0.095  0.931  0.931  1.0
  Na  Na1  1  0.004  0.018  0.475  1.0
  Na  Na2  1  0.004  0.475  0.018  1.0
  Na  Na3  1  0.543  0.931  0.931  1.0
  Mg  Mg4  1  0.596  0.154  0.154  1.0
  Mo  Mo5  1  0.311  0.439  0.439  1.0
  Mo  Mo6  1  0.649  0.601  0.601  1.0
  O  O7  1  0.790  0.698  0.698  1.0
  O  O8  1  0.239  0.250  0.771  1.0
  O  O9  1  0.239  0.771  0.250  1.0
  O  O10  1  0.659  0.298  0.298  1.0
  O  O11  1  0.731  0.249  0.789  1.0
  O  O12  1  0.314  0.698  0.698  1.0
  O  O13  1  0.245  0.298  0.298  1.0
  O  O14  1  0.731  0.789  0.249  1.0
[/CIF]
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