The material structure described by Na3MgVO4 crystallizes in the orthorhombic I222 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Na site, Na(2) is bonded to four equivalent O(1) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Na(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Na(2)O4 tetrahedra, edges with two equivalent Na(2)O4 tetrahedra, and edges with two equivalent V(1)O4 tetrahedra. V(1) is bonded to four equivalent O(1) atoms to form distorted VO4 tetrahedra that share corners with eight equivalent Na(2)O4 tetrahedra and edges with two equivalent Mg(1)O4 tetrahedra. O(1) is bonded to one Na(1), two equivalent Na(2), one Mg(1), and one V(1) atom to form a mixture of distorted corner and edge-sharing ONa3MgV trigonal bipyramids. is represented by the CIF card [CIF]
data_Na3MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   6.164
_cell_length_c   6.164
_cell_angle_alpha   128.247
_cell_angle_beta   126.769
_cell_angle_gamma   77.429
_symmetry_Int_Tables_number   1
_cell_volume   142.922
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.703  0.203  0.500  1.0
  Na  Na2  1  0.297  0.797  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.708  0.149  0.055  1.0
  O  O6  1  0.292  0.347  0.441  1.0
  O  O7  1  0.906  0.851  0.559  1.0
  O  O8  1  0.094  0.653  0.945  1.0
[/CIF]
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The material structure described by Na3MgVO4 crystallizes in the orthorhombic I222 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Na site, Na(2) is bonded to four equivalent O(1) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Na(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Na(2)O4 tetrahedra, edges with two equivalent Na(2)O4 tetrahedra, and edges with two equivalent V(1)O4 tetrahedra. V(1) is bonded to four equivalent O(1) atoms to form distorted VO4 tetrahedra that share corners with eight equivalent Na(2)O4 tetrahedra and edges with two equivalent Mg(1)O4 tetrahedra. O(1) is bonded to one Na(1), two equivalent Na(2), one Mg(1), and one V(1) atom to form a mixture of distorted corner and edge-sharing ONa3MgV trigonal bipyramids. is represented by the CIF card [CIF]
data_Na3MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   6.164
_cell_length_c   6.164
_cell_angle_alpha   128.247
_cell_angle_beta   126.769
_cell_angle_gamma   77.429
_symmetry_Int_Tables_number   1
_cell_volume   142.922
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.703  0.203  0.500  1.0
  Na  Na2  1  0.297  0.797  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.708  0.149  0.055  1.0
  O  O6  1  0.292  0.347  0.441  1.0
  O  O7  1  0.906  0.851  0.559  1.0
  O  O8  1  0.094  0.653  0.945  1.0
[/CIF]
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