The crystal structure described by NaV2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to four equivalent O(1) atoms to form NaO4 tetrahedra that share corners with twelve equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. O(1) is bonded to one Na(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing ONaV3 tetrahedra. is represented by the CIF card [CIF]
data_NaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   6.225
_cell_angle_alpha   121.955
_cell_angle_beta   121.955
_cell_angle_gamma   86.646
_symmetry_Int_Tables_number   1
_cell_volume   165.206
_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  0.875  0.125  0.750  1.0
  Na  Na1  1  0.125  0.875  0.250  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.728  0.263  0.035  1.0
  O  O7  1  0.307  0.272  0.035  1.0
  O  O8  1  0.737  0.272  0.465  1.0
  O  O9  1  0.728  0.693  0.465  1.0
  O  O10  1  0.272  0.307  0.535  1.0
  O  O11  1  0.263  0.728  0.535  1.0
  O  O12  1  0.693  0.728  0.965  1.0
  O  O13  1  0.272  0.737  0.965  1.0
[/CIF]
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The crystal structure described by NaV2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to four equivalent O(1) atoms to form NaO4 tetrahedra that share corners with twelve equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. O(1) is bonded to one Na(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing ONaV3 tetrahedra. is represented by the CIF card [CIF]
data_NaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   6.225
_cell_angle_alpha   121.955
_cell_angle_beta   121.955
_cell_angle_gamma   86.646
_symmetry_Int_Tables_number   1
_cell_volume   165.206
_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  0.875  0.125  0.750  1.0
  Na  Na1  1  0.125  0.875  0.250  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.728  0.263  0.035  1.0
  O  O7  1  0.307  0.272  0.035  1.0
  O  O8  1  0.737  0.272  0.465  1.0
  O  O9  1  0.728  0.693  0.465  1.0
  O  O10  1  0.272  0.307  0.535  1.0
  O  O11  1  0.263  0.728  0.535  1.0
  O  O12  1  0.693  0.728  0.965  1.0
  O  O13  1  0.272  0.737  0.965  1.0
[/CIF]
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