The crystal structure described by Na4V2O5 crystallizes in the orthorhombic Fddd space group. Na(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent V(1)O5 square pyramids, corners with five equivalent Na(1)O5 trigonal bipyramids, edges with three equivalent V(1)O5 square pyramids, and edges with five equivalent Na(1)O5 trigonal bipyramids. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 square pyramids that share  a cornercorner with one V(1)O5 square pyramid, corners with eight equivalent Na(1)O5 trigonal bipyramids, edges with two equivalent V(1)O5 square pyramids, and edges with six equivalent Na(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the third O site, O(3) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form a mixture of edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF file [CIF]
data_Na4V2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.180
_cell_length_b   10.583
_cell_length_c   5.577
_cell_angle_alpha   81.171
_cell_angle_beta   69.294
_cell_angle_gamma   29.535
_symmetry_Int_Tables_number   1
_cell_volume   286.750
_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  0.406  0.906  0.093  1.0
  Na  Na1  1  0.595  0.093  0.906  1.0
  Na  Na2  1  0.157  0.655  0.845  1.0
  Na  Na3  1  0.344  0.845  0.655  1.0
  Na  Na4  1  0.093  0.595  0.406  1.0
  Na  Na5  1  0.906  0.406  0.595  1.0
  Na  Na6  1  0.845  0.344  0.157  1.0
  Na  Na7  1  0.655  0.157  0.344  1.0
  V  V8  1  0.956  0.544  0.956  1.0
  V  V9  1  0.544  0.956  0.544  1.0
  V  V10  1  0.706  0.294  0.706  1.0
  V  V11  1  0.294  0.706  0.294  1.0
  O  O12  1  0.314  0.314  0.686  1.0
  O  O13  1  0.182  0.182  0.818  1.0
  O  O14  1  0.750  0.750  0.750  1.0
  O  O15  1  0.564  0.564  0.936  1.0
  O  O16  1  0.432  0.432  0.068  1.0
  O  O17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.686  0.686  0.314  1.0
  O  O19  1  0.818  0.818  0.182  1.0
  O  O20  1  0.936  0.936  0.564  1.0
  O  O21  1  0.068  0.068  0.432  1.0
[/CIF]
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The crystal structure described by Na4V2O5 crystallizes in the orthorhombic Fddd space group. Na(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent V(1)O5 square pyramids, corners with five equivalent Na(1)O5 trigonal bipyramids, edges with three equivalent V(1)O5 square pyramids, and edges with five equivalent Na(1)O5 trigonal bipyramids. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 square pyramids that share  a cornercorner with one V(1)O5 square pyramid, corners with eight equivalent Na(1)O5 trigonal bipyramids, edges with two equivalent V(1)O5 square pyramids, and edges with six equivalent Na(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the third O site, O(3) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form a mixture of edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF file [CIF]
data_Na4V2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.180
_cell_length_b   10.583
_cell_length_c   5.577
_cell_angle_alpha   81.171
_cell_angle_beta   69.294
_cell_angle_gamma   29.535
_symmetry_Int_Tables_number   1
_cell_volume   286.750
_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  0.406  0.906  0.093  1.0
  Na  Na1  1  0.595  0.093  0.906  1.0
  Na  Na2  1  0.157  0.655  0.845  1.0
  Na  Na3  1  0.344  0.845  0.655  1.0
  Na  Na4  1  0.093  0.595  0.406  1.0
  Na  Na5  1  0.906  0.406  0.595  1.0
  Na  Na6  1  0.845  0.344  0.157  1.0
  Na  Na7  1  0.655  0.157  0.344  1.0
  V  V8  1  0.956  0.544  0.956  1.0
  V  V9  1  0.544  0.956  0.544  1.0
  V  V10  1  0.706  0.294  0.706  1.0
  V  V11  1  0.294  0.706  0.294  1.0
  O  O12  1  0.314  0.314  0.686  1.0
  O  O13  1  0.182  0.182  0.818  1.0
  O  O14  1  0.750  0.750  0.750  1.0
  O  O15  1  0.564  0.564  0.936  1.0
  O  O16  1  0.432  0.432  0.068  1.0
  O  O17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.686  0.686  0.314  1.0
  O  O19  1  0.818  0.818  0.182  1.0
  O  O20  1  0.936  0.936  0.564  1.0
  O  O21  1  0.068  0.068  0.432  1.0
[/CIF]
.