The structure described by Na4MgV2O6 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share edges with six equivalent V(1)O6 octahedra. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted VO6 octahedra that share edges with three equivalent Na(3)O6 octahedra and edges with three equivalent V(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), one Mg(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Na4MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.493
_cell_length_c   6.010
_cell_angle_alpha   74.119
_cell_angle_beta   100.850
_cell_angle_gamma   60.835
_symmetry_Int_Tables_number   1
_cell_volume   147.577
_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  0.018  0.243  0.552  1.0
  Na  Na1  1  0.982  0.757  0.448  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.673  0.649  0.011  1.0
  V  V6  1  0.327  0.351  0.989  1.0
  O  O7  1  0.296  0.731  0.771  1.0
  O  O8  1  0.134  0.462  0.235  1.0
  O  O9  1  0.479  0.889  0.215  1.0
  O  O10  1  0.866  0.538  0.765  1.0
  O  O11  1  0.521  0.111  0.785  1.0
  O  O12  1  0.704  0.269  0.229  1.0
[/CIF]
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The structure described by Na4MgV2O6 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share edges with six equivalent V(1)O6 octahedra. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted VO6 octahedra that share edges with three equivalent Na(3)O6 octahedra and edges with three equivalent V(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), one Mg(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Na4MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.493
_cell_length_c   6.010
_cell_angle_alpha   74.119
_cell_angle_beta   100.850
_cell_angle_gamma   60.835
_symmetry_Int_Tables_number   1
_cell_volume   147.577
_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  0.018  0.243  0.552  1.0
  Na  Na1  1  0.982  0.757  0.448  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.673  0.649  0.011  1.0
  V  V6  1  0.327  0.351  0.989  1.0
  O  O7  1  0.296  0.731  0.771  1.0
  O  O8  1  0.134  0.462  0.235  1.0
  O  O9  1  0.479  0.889  0.215  1.0
  O  O10  1  0.866  0.538  0.765  1.0
  O  O11  1  0.521  0.111  0.785  1.0
  O  O12  1  0.704  0.269  0.229  1.0
[/CIF]
.