The compound 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 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Na(4)O4 trigonal pyramid, and  an edgeedge with one Na(4)O4 trigonal pyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with three equivalent Na(4)O4 trigonal pyramids. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent Na(4)O4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), and one V(1) atom. In the second O site, O(2) 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  a cornercorner with one O(3)Na3MgV square pyramid, corners with three equivalent O(5)Na2V2 trigonal pyramids, and  an edgeedge with one O(3)Na3MgV square pyramid. In the third O site, O(3) is bonded to one Na(1), one Na(3), one Na(4), one Mg(1), and one V(1) atom to form distorted ONa3MgV square pyramids that share  a cornercorner with one O(2)Na3MgV trigonal bipyramid,  an edgeedge with one O(2)Na3MgV trigonal bipyramid, and  an edgeedge with one O(5)Na2V2 trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing ONa2V2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Na4MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   5.994
_cell_length_c   6.156
_cell_angle_alpha   90.749
_cell_angle_beta   88.644
_cell_angle_gamma   58.862
_symmetry_Int_Tables_number   1
_cell_volume   193.884
_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  0.504  0.631  0.861  1.0
  Na  Na1  1  0.866  0.694  0.639  1.0
  Na  Na2  1  0.453  0.321  0.445  1.0
  Na  Na3  1  0.235  0.270  0.040  1.0
  Mg  Mg4  1  0.741  0.525  0.260  1.0
  V  V5  1  0.871  0.977  0.080  1.0
  V  V6  1  0.147  0.003  0.542  1.0
  O  O7  1  0.810  0.699  0.013  1.0
  O  O8  1  0.491  0.713  0.500  1.0
  O  O9  1  0.588  0.330  0.099  1.0
  O  O10  1  0.079  0.322  0.411  1.0
  O  O11  1  0.900  0.955  0.400  1.0
  O  O12  1  0.105  0.988  0.864  1.0
[/CIF]
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The compound 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 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Na(4)O4 trigonal pyramid, and  an edgeedge with one Na(4)O4 trigonal pyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with three equivalent Na(4)O4 trigonal pyramids. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent Na(4)O4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), and one V(1) atom. In the second O site, O(2) 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  a cornercorner with one O(3)Na3MgV square pyramid, corners with three equivalent O(5)Na2V2 trigonal pyramids, and  an edgeedge with one O(3)Na3MgV square pyramid. In the third O site, O(3) is bonded to one Na(1), one Na(3), one Na(4), one Mg(1), and one V(1) atom to form distorted ONa3MgV square pyramids that share  a cornercorner with one O(2)Na3MgV trigonal bipyramid,  an edgeedge with one O(2)Na3MgV trigonal bipyramid, and  an edgeedge with one O(5)Na2V2 trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing ONa2V2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Na4MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   5.994
_cell_length_c   6.156
_cell_angle_alpha   90.749
_cell_angle_beta   88.644
_cell_angle_gamma   58.862
_symmetry_Int_Tables_number   1
_cell_volume   193.884
_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  0.504  0.631  0.861  1.0
  Na  Na1  1  0.866  0.694  0.639  1.0
  Na  Na2  1  0.453  0.321  0.445  1.0
  Na  Na3  1  0.235  0.270  0.040  1.0
  Mg  Mg4  1  0.741  0.525  0.260  1.0
  V  V5  1  0.871  0.977  0.080  1.0
  V  V6  1  0.147  0.003  0.542  1.0
  O  O7  1  0.810  0.699  0.013  1.0
  O  O8  1  0.491  0.713  0.500  1.0
  O  O9  1  0.588  0.330  0.099  1.0
  O  O10  1  0.079  0.322  0.411  1.0
  O  O11  1  0.900  0.955  0.400  1.0
  O  O12  1  0.105  0.988  0.864  1.0
[/CIF]
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