The crystal structure described by Na2V2O5 crystallizes in the orthorhombic Pbcn space group. Na(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted NaO4 trigonal pyramids that share corners with five equivalent V(1)O4 tetrahedra, corners with four equivalent Na(1)O4 trigonal pyramids, and  an edgeedge with one Na(1)O4 trigonal pyramid. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with five equivalent Na(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Na2V2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   6.610
_cell_length_c   17.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.150
_cell_formula_units_Z   4
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  0.776  0.595  0.943  1.0
  Na  Na1  1  0.224  0.595  0.443  1.0
  Na  Na2  1  0.276  0.905  0.943  1.0
  Na  Na3  1  0.724  0.905  0.443  1.0
  Na  Na4  1  0.276  0.095  0.557  1.0
  Na  Na5  1  0.724  0.095  0.057  1.0
  Na  Na6  1  0.776  0.405  0.557  1.0
  Na  Na7  1  0.224  0.405  0.057  1.0
  V  V8  1  0.292  0.594  0.651  1.0
  V  V9  1  0.708  0.594  0.151  1.0
  V  V10  1  0.792  0.906  0.651  1.0
  V  V11  1  0.208  0.906  0.151  1.0
  V  V12  1  0.208  0.094  0.349  1.0
  V  V13  1  0.792  0.094  0.849  1.0
  V  V14  1  0.292  0.406  0.849  1.0
  V  V15  1  0.708  0.406  0.349  1.0
  O  O16  1  0.241  0.500  0.750  1.0
  O  O17  1  0.759  0.500  0.250  1.0
  O  O18  1  0.219  0.557  0.930  1.0
  O  O19  1  0.781  0.557  0.430  1.0
  O  O20  1  0.630  0.657  0.638  1.0
  O  O21  1  0.370  0.657  0.138  1.0
  O  O22  1  0.130  0.843  0.638  1.0
  O  O23  1  0.870  0.843  0.138  1.0
  O  O24  1  0.719  0.943  0.930  1.0
  O  O25  1  0.281  0.943  0.430  1.0
  O  O26  1  0.741  0.000  0.750  1.0
  O  O27  1  0.259  0.000  0.250  1.0
  O  O28  1  0.719  0.057  0.570  1.0
  O  O29  1  0.281  0.057  0.070  1.0
  O  O30  1  0.130  0.157  0.862  1.0
  O  O31  1  0.870  0.157  0.362  1.0
  O  O32  1  0.630  0.343  0.862  1.0
  O  O33  1  0.370  0.343  0.362  1.0
  O  O34  1  0.219  0.443  0.570  1.0
  O  O35  1  0.781  0.443  0.070  1.0
[/CIF]
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The crystal structure described by Na2V2O5 crystallizes in the orthorhombic Pbcn space group. Na(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted NaO4 trigonal pyramids that share corners with five equivalent V(1)O4 tetrahedra, corners with four equivalent Na(1)O4 trigonal pyramids, and  an edgeedge with one Na(1)O4 trigonal pyramid. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with five equivalent Na(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Na2V2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   6.610
_cell_length_c   17.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.150
_cell_formula_units_Z   4
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  0.776  0.595  0.943  1.0
  Na  Na1  1  0.224  0.595  0.443  1.0
  Na  Na2  1  0.276  0.905  0.943  1.0
  Na  Na3  1  0.724  0.905  0.443  1.0
  Na  Na4  1  0.276  0.095  0.557  1.0
  Na  Na5  1  0.724  0.095  0.057  1.0
  Na  Na6  1  0.776  0.405  0.557  1.0
  Na  Na7  1  0.224  0.405  0.057  1.0
  V  V8  1  0.292  0.594  0.651  1.0
  V  V9  1  0.708  0.594  0.151  1.0
  V  V10  1  0.792  0.906  0.651  1.0
  V  V11  1  0.208  0.906  0.151  1.0
  V  V12  1  0.208  0.094  0.349  1.0
  V  V13  1  0.792  0.094  0.849  1.0
  V  V14  1  0.292  0.406  0.849  1.0
  V  V15  1  0.708  0.406  0.349  1.0
  O  O16  1  0.241  0.500  0.750  1.0
  O  O17  1  0.759  0.500  0.250  1.0
  O  O18  1  0.219  0.557  0.930  1.0
  O  O19  1  0.781  0.557  0.430  1.0
  O  O20  1  0.630  0.657  0.638  1.0
  O  O21  1  0.370  0.657  0.138  1.0
  O  O22  1  0.130  0.843  0.638  1.0
  O  O23  1  0.870  0.843  0.138  1.0
  O  O24  1  0.719  0.943  0.930  1.0
  O  O25  1  0.281  0.943  0.430  1.0
  O  O26  1  0.741  0.000  0.750  1.0
  O  O27  1  0.259  0.000  0.250  1.0
  O  O28  1  0.719  0.057  0.570  1.0
  O  O29  1  0.281  0.057  0.070  1.0
  O  O30  1  0.130  0.157  0.862  1.0
  O  O31  1  0.870  0.157  0.362  1.0
  O  O32  1  0.630  0.343  0.862  1.0
  O  O33  1  0.370  0.343  0.362  1.0
  O  O34  1  0.219  0.443  0.570  1.0
  O  O35  1  0.781  0.443  0.070  1.0
[/CIF]
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