The structure described by NaV2O4 is Spinel structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing ONaV3 tetrahedra. In the second O site, O(2) is bonded to one Na(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing ONaV3 tetrahedra. is represented by the CIF file [CIF]
data_NaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.069
_cell_length_b   6.067
_cell_length_c   6.184
_cell_angle_alpha   60.690
_cell_angle_beta   62.425
_cell_angle_gamma   91.665
_symmetry_Int_Tables_number   1
_cell_volume   166.096
_cell_formula_units_Z   2
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  0.876  0.626  0.250  1.0
  Na  Na1  1  0.124  0.374  0.750  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  V  V5  1  0.000  1.000  0.500  1.0
  O  O6  1  0.305  0.769  0.949  1.0
  O  O7  1  0.718  0.754  0.551  1.0
  O  O8  1  0.725  0.191  0.534  1.0
  O  O9  1  0.725  0.758  0.966  1.0
  O  O10  1  0.275  0.242  0.034  1.0
  O  O11  1  0.276  0.809  0.466  1.0
  O  O12  1  0.282  0.246  0.449  1.0
  O  O13  1  0.695  0.231  0.051  1.0
[/CIF]
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The structure described by NaV2O4 is Spinel structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing ONaV3 tetrahedra. In the second O site, O(2) is bonded to one Na(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing ONaV3 tetrahedra. is represented by the CIF file [CIF]
data_NaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.069
_cell_length_b   6.067
_cell_length_c   6.184
_cell_angle_alpha   60.690
_cell_angle_beta   62.425
_cell_angle_gamma   91.665
_symmetry_Int_Tables_number   1
_cell_volume   166.096
_cell_formula_units_Z   2
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  0.876  0.626  0.250  1.0
  Na  Na1  1  0.124  0.374  0.750  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  V  V5  1  0.000  1.000  0.500  1.0
  O  O6  1  0.305  0.769  0.949  1.0
  O  O7  1  0.718  0.754  0.551  1.0
  O  O8  1  0.725  0.191  0.534  1.0
  O  O9  1  0.725  0.758  0.966  1.0
  O  O10  1  0.275  0.242  0.034  1.0
  O  O11  1  0.276  0.809  0.466  1.0
  O  O12  1  0.282  0.246  0.449  1.0
  O  O13  1  0.695  0.231  0.051  1.0
[/CIF]
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