The material structure described by Na6MgV2(S3O)2 crystallizes in the monoclinic Cm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and one O(1) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(3), and one O(1) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and one O(2) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(4), and one O(2) atom. Mg(1) is bonded in a 5-coordinate geometry to two equivalent S(1), two equivalent S(3), and one O(2) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted tetrahedral geometry to one S(4), two equivalent S(1), and one O(2) atom. In the second V site, V(2) is bonded in a distorted tetrahedral geometry to one S(2), two equivalent S(3), and one O(1) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), one Mg(1), and one V(1) atom. In the second S site, S(2) is bonded to one Na(4), two equivalent Na(1), two equivalent Na(3), and one V(2) atom to form distorted SNa5V octahedra that share corners with two equivalent S(2)Na5V octahedra,  a cornercorner with one O(1)Na3V tetrahedra, corners with three equivalent O(2)Na3MgV trigonal bipyramids, edges with two equivalent S(4)Na5V octahedra, and  an edgeedge with one O(1)Na3V tetrahedra. The corner-sharing octahedral tilt angles are 2°. In the third S site, S(3) is bonded in a 7-coordinate geometry to one Na(4), two equivalent Na(2), two equivalent Na(3), one Mg(1), and one V(2) atom. In the fourth S site, S(4) is bonded to one Na(1), two equivalent Na(2), two equivalent Na(4), and one V(1) atom to form SNa5V octahedra that share corners with two equivalent S(4)Na5V octahedra, corners with three equivalent O(1)Na3V tetrahedra,  a cornercorner with one O(2)Na3MgV trigonal bipyramid, edges with two equivalent S(2)Na5V octahedra, and  an edgeedge with one O(2)Na3MgV trigonal bipyramid. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), and one V(2) atom to form distorted ONa3V tetrahedra that share  a cornercorner with one S(2)Na5V octahedra, corners with three equivalent S(4)Na5V octahedra, and  an edgeedge with one S(2)Na5V octahedra. The corner-sharing octahedral tilt angles range from 8-78°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(3), one Mg(1), and one V(1) atom to form distorted ONa3MgV trigonal bipyramids that share  a cornercorner with one S(4)Na5V octahedra, corners with three equivalent S(2)Na5V octahedra, and  an edgeedge with one S(4)Na5V octahedra. The corner-sharing octahedral tilt angles range from 1-73°. is represented by the CIF file [CIF]
data_Na6MgV2(S3O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   7.884
_cell_length_c   7.884
_cell_angle_alpha   99.235
_cell_angle_beta   90.745
_cell_angle_gamma   89.255
_symmetry_Int_Tables_number   1
_cell_volume   355.644
_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  0.485  0.111  0.889  1.0
  Na  Na1  1  0.474  0.166  0.412  1.0
  Na  Na2  1  0.474  0.588  0.834  1.0
  Na  Na3  1  0.039  0.402  0.118  1.0
  Na  Na4  1  0.935  0.876  0.124  1.0
  Na  Na5  1  0.039  0.882  0.598  1.0
  Mg  Mg6  1  0.831  0.541  0.459  1.0
  V  V7  1  0.367  0.698  0.302  1.0
  V  V8  1  0.867  0.292  0.708  1.0
  S  S9  1  0.543  0.442  0.204  1.0
  S  S10  1  0.001  0.115  0.885  1.0
  S  S11  1  0.543  0.796  0.558  1.0
  S  S12  1  0.980  0.219  0.425  1.0
  S  S13  1  0.980  0.575  0.781  1.0
  S  S14  1  0.445  0.879  0.121  1.0
  O  O15  1  0.572  0.303  0.697  1.0
  O  O16  1  0.068  0.665  0.335  1.0
[/CIF]
.
The material structure described by Na6MgV2(S3O)2 crystallizes in the monoclinic Cm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and one O(1) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(3), and one O(1) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and one O(2) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(4), and one O(2) atom. Mg(1) is bonded in a 5-coordinate geometry to two equivalent S(1), two equivalent S(3), and one O(2) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted tetrahedral geometry to one S(4), two equivalent S(1), and one O(2) atom. In the second V site, V(2) is bonded in a distorted tetrahedral geometry to one S(2), two equivalent S(3), and one O(1) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), one Mg(1), and one V(1) atom. In the second S site, S(2) is bonded to one Na(4), two equivalent Na(1), two equivalent Na(3), and one V(2) atom to form distorted SNa5V octahedra that share corners with two equivalent S(2)Na5V octahedra,  a cornercorner with one O(1)Na3V tetrahedra, corners with three equivalent O(2)Na3MgV trigonal bipyramids, edges with two equivalent S(4)Na5V octahedra, and  an edgeedge with one O(1)Na3V tetrahedra. The corner-sharing octahedral tilt angles are 2°. In the third S site, S(3) is bonded in a 7-coordinate geometry to one Na(4), two equivalent Na(2), two equivalent Na(3), one Mg(1), and one V(2) atom. In the fourth S site, S(4) is bonded to one Na(1), two equivalent Na(2), two equivalent Na(4), and one V(1) atom to form SNa5V octahedra that share corners with two equivalent S(4)Na5V octahedra, corners with three equivalent O(1)Na3V tetrahedra,  a cornercorner with one O(2)Na3MgV trigonal bipyramid, edges with two equivalent S(2)Na5V octahedra, and  an edgeedge with one O(2)Na3MgV trigonal bipyramid. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), and one V(2) atom to form distorted ONa3V tetrahedra that share  a cornercorner with one S(2)Na5V octahedra, corners with three equivalent S(4)Na5V octahedra, and  an edgeedge with one S(2)Na5V octahedra. The corner-sharing octahedral tilt angles range from 8-78°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(3), one Mg(1), and one V(1) atom to form distorted ONa3MgV trigonal bipyramids that share  a cornercorner with one S(4)Na5V octahedra, corners with three equivalent S(2)Na5V octahedra, and  an edgeedge with one S(4)Na5V octahedra. The corner-sharing octahedral tilt angles range from 1-73°. is represented by the CIF file [CIF]
data_Na6MgV2(S3O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   7.884
_cell_length_c   7.884
_cell_angle_alpha   99.235
_cell_angle_beta   90.745
_cell_angle_gamma   89.255
_symmetry_Int_Tables_number   1
_cell_volume   355.644
_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  0.485  0.111  0.889  1.0
  Na  Na1  1  0.474  0.166  0.412  1.0
  Na  Na2  1  0.474  0.588  0.834  1.0
  Na  Na3  1  0.039  0.402  0.118  1.0
  Na  Na4  1  0.935  0.876  0.124  1.0
  Na  Na5  1  0.039  0.882  0.598  1.0
  Mg  Mg6  1  0.831  0.541  0.459  1.0
  V  V7  1  0.367  0.698  0.302  1.0
  V  V8  1  0.867  0.292  0.708  1.0
  S  S9  1  0.543  0.442  0.204  1.0
  S  S10  1  0.001  0.115  0.885  1.0
  S  S11  1  0.543  0.796  0.558  1.0
  S  S12  1  0.980  0.219  0.425  1.0
  S  S13  1  0.980  0.575  0.781  1.0
  S  S14  1  0.445  0.879  0.121  1.0
  O  O15  1  0.572  0.303  0.697  1.0
  O  O16  1  0.068  0.665  0.335  1.0
[/CIF]
.