The material structure described by Na4MgV2O6 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO5 trigonal bipyramids that share corners with four equivalent V(2)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(6) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form MgO5 trigonal bipyramids that share corners with four equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Na(3)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Na(3)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form VO5 trigonal bipyramids that share corners with four equivalent Na(3)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), one Mg(1), and one V(2) atom to form distorted ONa3MgV trigonal bipyramids that share corners with two equivalent O(2)Na3MgV2 octahedra, corners with two equivalent O(4)Na4V2 pentagonal pyramids, corners with four equivalent O(3)Na3MgV2 pentagonal pyramids,  an edgeedge with one O(2)Na3MgV2 octahedra, and  an edgeedge with one O(4)Na4V2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-76°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(4), one Mg(1), one V(1), and one V(2) atom to form distorted ONa3MgV2 octahedra that share  a cornercorner with one O(4)Na4V2 pentagonal pyramid, corners with two equivalent O(1)Na3MgV trigonal bipyramids,  an edgeedge with one O(3)Na3MgV2 pentagonal pyramid, edges with two equivalent O(4)Na4V2 pentagonal pyramids,  an edgeedge with one O(1)Na3MgV trigonal bipyramid, and  a faceface with one O(3)Na3MgV2 pentagonal pyramid. In the third O site, O(3) is bonded to one Na(2), one Na(3), one Na(4), one Mg(1), one V(1), and one V(2) atom to form distorted ONa3MgV2 pentagonal pyramids that share corners with three equivalent O(4)Na4V2 pentagonal pyramids, corners with four equivalent O(1)Na3MgV trigonal bipyramids,  an edgeedge with one O(2)Na3MgV2 octahedra,  an edgeedge with one O(4)Na4V2 pentagonal pyramid, and  a faceface with one O(2)Na3MgV2 octahedra. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom to form distorted ONa4V2 pentagonal pyramids that share  a cornercorner with one O(2)Na3MgV2 octahedra, corners with three equivalent O(3)Na3MgV2 pentagonal pyramids, corners with two equivalent O(1)Na3MgV trigonal bipyramids, edges with two equivalent O(2)Na3MgV2 octahedra,  an edgeedge with one O(3)Na3MgV2 pentagonal pyramid, and  an edgeedge with one O(1)Na3MgV trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Na4MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   5.896
_cell_length_c   5.627
_cell_angle_alpha   71.365
_cell_angle_beta   86.384
_cell_angle_gamma   53.374
_symmetry_Int_Tables_number   1
_cell_volume   168.393
_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  0.121  0.095  0.547  1.0
  Na  Na1  1  0.883  0.796  0.508  1.0
  Na  Na2  1  0.593  0.620  0.571  1.0
  Na  Na3  1  0.862  0.063  0.031  1.0
  Mg  Mg4  1  0.415  0.335  0.395  1.0
  V  V5  1  0.754  0.638  0.059  1.0
  V  V6  1  0.281  0.293  0.921  1.0
  O  O7  1  0.281  0.585  0.638  1.0
  O  O8  1  0.074  0.542  0.176  1.0
  O  O9  1  0.547  0.999  0.213  1.0
  O  O10  1  0.974  0.353  0.842  1.0
  O  O11  1  0.525  0.975  0.744  1.0
  O  O12  1  0.704  0.357  0.295  1.0
[/CIF]
.
The material structure described by Na4MgV2O6 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO5 trigonal bipyramids that share corners with four equivalent V(2)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(6) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form MgO5 trigonal bipyramids that share corners with four equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Na(3)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Na(3)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form VO5 trigonal bipyramids that share corners with four equivalent Na(3)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), one Mg(1), and one V(2) atom to form distorted ONa3MgV trigonal bipyramids that share corners with two equivalent O(2)Na3MgV2 octahedra, corners with two equivalent O(4)Na4V2 pentagonal pyramids, corners with four equivalent O(3)Na3MgV2 pentagonal pyramids,  an edgeedge with one O(2)Na3MgV2 octahedra, and  an edgeedge with one O(4)Na4V2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-76°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(4), one Mg(1), one V(1), and one V(2) atom to form distorted ONa3MgV2 octahedra that share  a cornercorner with one O(4)Na4V2 pentagonal pyramid, corners with two equivalent O(1)Na3MgV trigonal bipyramids,  an edgeedge with one O(3)Na3MgV2 pentagonal pyramid, edges with two equivalent O(4)Na4V2 pentagonal pyramids,  an edgeedge with one O(1)Na3MgV trigonal bipyramid, and  a faceface with one O(3)Na3MgV2 pentagonal pyramid. In the third O site, O(3) is bonded to one Na(2), one Na(3), one Na(4), one Mg(1), one V(1), and one V(2) atom to form distorted ONa3MgV2 pentagonal pyramids that share corners with three equivalent O(4)Na4V2 pentagonal pyramids, corners with four equivalent O(1)Na3MgV trigonal bipyramids,  an edgeedge with one O(2)Na3MgV2 octahedra,  an edgeedge with one O(4)Na4V2 pentagonal pyramid, and  a faceface with one O(2)Na3MgV2 octahedra. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom to form distorted ONa4V2 pentagonal pyramids that share  a cornercorner with one O(2)Na3MgV2 octahedra, corners with three equivalent O(3)Na3MgV2 pentagonal pyramids, corners with two equivalent O(1)Na3MgV trigonal bipyramids, edges with two equivalent O(2)Na3MgV2 octahedra,  an edgeedge with one O(3)Na3MgV2 pentagonal pyramid, and  an edgeedge with one O(1)Na3MgV trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Na4MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   5.896
_cell_length_c   5.627
_cell_angle_alpha   71.365
_cell_angle_beta   86.384
_cell_angle_gamma   53.374
_symmetry_Int_Tables_number   1
_cell_volume   168.393
_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  0.121  0.095  0.547  1.0
  Na  Na1  1  0.883  0.796  0.508  1.0
  Na  Na2  1  0.593  0.620  0.571  1.0
  Na  Na3  1  0.862  0.063  0.031  1.0
  Mg  Mg4  1  0.415  0.335  0.395  1.0
  V  V5  1  0.754  0.638  0.059  1.0
  V  V6  1  0.281  0.293  0.921  1.0
  O  O7  1  0.281  0.585  0.638  1.0
  O  O8  1  0.074  0.542  0.176  1.0
  O  O9  1  0.547  0.999  0.213  1.0
  O  O10  1  0.974  0.353  0.842  1.0
  O  O11  1  0.525  0.975  0.744  1.0
  O  O12  1  0.704  0.357  0.295  1.0
[/CIF]
.