The crystal 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 7-coordinate geometry to one Mg(1), one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgNa4O4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra. 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 MoO4 tetrahedra that share corners with four equivalent Mg(1)Na4O4 tetrahedra. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one Mo(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Na4Mg(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.573
_cell_length_b   6.573
_cell_length_c   6.572
_cell_angle_alpha   60.009
_cell_angle_beta   60.009
_cell_angle_gamma   60.031
_symmetry_Int_Tables_number   1
_cell_volume   200.865
_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  0.981  0.981  0.982  1.0
  Na  Na1  1  0.981  0.981  0.557  1.0
  Na  Na2  1  0.979  0.559  0.981  1.0
  Na  Na3  1  0.559  0.979  0.981  1.0
  Mg  Mg4  1  0.126  0.126  0.124  1.0
  Mo  Mo5  1  0.376  0.376  0.374  1.0
  Mo  Mo6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.737  0.737  0.737  1.0
  O  O8  1  0.250  0.250  0.750  1.0
  O  O9  1  0.250  0.752  0.249  1.0
  O  O10  1  0.752  0.250  0.249  1.0
  O  O11  1  0.737  0.290  0.737  1.0
  O  O12  1  0.290  0.737  0.737  1.0
  O  O13  1  0.250  0.250  0.249  1.0
  O  O14  1  0.737  0.737  0.290  1.0
[/CIF]
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The crystal 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 7-coordinate geometry to one Mg(1), one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgNa4O4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra. 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 MoO4 tetrahedra that share corners with four equivalent Mg(1)Na4O4 tetrahedra. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one Mo(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Na4Mg(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.573
_cell_length_b   6.573
_cell_length_c   6.572
_cell_angle_alpha   60.009
_cell_angle_beta   60.009
_cell_angle_gamma   60.031
_symmetry_Int_Tables_number   1
_cell_volume   200.865
_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  0.981  0.981  0.982  1.0
  Na  Na1  1  0.981  0.981  0.557  1.0
  Na  Na2  1  0.979  0.559  0.981  1.0
  Na  Na3  1  0.559  0.979  0.981  1.0
  Mg  Mg4  1  0.126  0.126  0.124  1.0
  Mo  Mo5  1  0.376  0.376  0.374  1.0
  Mo  Mo6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.737  0.737  0.737  1.0
  O  O8  1  0.250  0.250  0.750  1.0
  O  O9  1  0.250  0.752  0.249  1.0
  O  O10  1  0.752  0.250  0.249  1.0
  O  O11  1  0.737  0.290  0.737  1.0
  O  O12  1  0.290  0.737  0.737  1.0
  O  O13  1  0.250  0.250  0.249  1.0
  O  O14  1  0.737  0.737  0.290  1.0
[/CIF]
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