The material structure described by NaV2O4 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Na(1) and three equivalent V(1) atoms to form ONaV3 trigonal pyramids that share corners with five equivalent O(1)Na2V3 trigonal bipyramids, corners with five equivalent O(2)NaV3 trigonal pyramids, edges with four equivalent O(1)Na2V3 trigonal bipyramids, and  an edgeedge with one O(2)NaV3 trigonal pyramid. In the second O site, O(1) is bonded to two equivalent Na(1) and three equivalent V(1) atoms to form distorted ONa2V3 trigonal bipyramids that share corners with four equivalent O(1)Na2V3 trigonal bipyramids, corners with five equivalent O(2)NaV3 trigonal pyramids, edges with four equivalent O(1)Na2V3 trigonal bipyramids, and edges with four equivalent O(2)NaV3 trigonal pyramids. is represented by the CIF file [CIF]
data_NaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   6.083
_cell_length_c   6.683
_cell_angle_alpha   117.069
_cell_angle_beta   102.971
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   176.072
_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  0.750  0.699  0.000  1.0
  Na  Na1  1  0.250  0.301  1.000  1.0
  V  V2  1  0.238  0.386  0.507  1.0
  V  V3  1  0.262  0.879  0.493  1.0
  V  V4  1  0.762  0.614  0.493  1.0
  V  V5  1  0.738  0.121  0.507  1.0
  O  O6  1  0.027  0.534  0.307  1.0
  O  O7  1  0.473  0.227  0.693  1.0
  O  O8  1  0.973  0.466  0.693  1.0
  O  O9  1  0.527  0.773  0.307  1.0
  O  O10  1  0.475  0.715  0.671  1.0
  O  O11  1  0.025  0.044  0.329  1.0
  O  O12  1  0.525  0.285  0.329  1.0
  O  O13  1  0.975  0.956  0.671  1.0
[/CIF]
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The material structure described by NaV2O4 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Na(1) and three equivalent V(1) atoms to form ONaV3 trigonal pyramids that share corners with five equivalent O(1)Na2V3 trigonal bipyramids, corners with five equivalent O(2)NaV3 trigonal pyramids, edges with four equivalent O(1)Na2V3 trigonal bipyramids, and  an edgeedge with one O(2)NaV3 trigonal pyramid. In the second O site, O(1) is bonded to two equivalent Na(1) and three equivalent V(1) atoms to form distorted ONa2V3 trigonal bipyramids that share corners with four equivalent O(1)Na2V3 trigonal bipyramids, corners with five equivalent O(2)NaV3 trigonal pyramids, edges with four equivalent O(1)Na2V3 trigonal bipyramids, and edges with four equivalent O(2)NaV3 trigonal pyramids. is represented by the CIF file [CIF]
data_NaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   6.083
_cell_length_c   6.683
_cell_angle_alpha   117.069
_cell_angle_beta   102.971
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   176.072
_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  0.750  0.699  0.000  1.0
  Na  Na1  1  0.250  0.301  1.000  1.0
  V  V2  1  0.238  0.386  0.507  1.0
  V  V3  1  0.262  0.879  0.493  1.0
  V  V4  1  0.762  0.614  0.493  1.0
  V  V5  1  0.738  0.121  0.507  1.0
  O  O6  1  0.027  0.534  0.307  1.0
  O  O7  1  0.473  0.227  0.693  1.0
  O  O8  1  0.973  0.466  0.693  1.0
  O  O9  1  0.527  0.773  0.307  1.0
  O  O10  1  0.475  0.715  0.671  1.0
  O  O11  1  0.025  0.044  0.329  1.0
  O  O12  1  0.525  0.285  0.329  1.0
  O  O13  1  0.975  0.956  0.671  1.0
[/CIF]
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