The material described by NaV2O5 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent V(1) atoms to form distorted corner-sharing ONa2V2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   11.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.536
_symmetry_Int_Tables_number   1
_cell_volume   236.273
_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  0.903  0.097  0.750  1.0
  Na  Na1  1  0.097  0.903  0.250  1.0
  V  V2  1  0.796  0.204  0.400  1.0
  V  V3  1  0.796  0.204  0.100  1.0
  V  V4  1  0.204  0.796  0.600  1.0
  V  V5  1  0.204  0.796  0.900  1.0
  O  O6  1  0.941  0.059  0.117  1.0
  O  O7  1  0.941  0.059  0.383  1.0
  O  O8  1  0.732  0.268  0.250  1.0
  O  O9  1  0.757  0.243  0.571  1.0
  O  O10  1  0.757  0.243  0.929  1.0
  O  O11  1  0.268  0.732  0.750  1.0
  O  O12  1  0.243  0.757  0.071  1.0
  O  O13  1  0.243  0.757  0.429  1.0
  O  O14  1  0.059  0.941  0.617  1.0
  O  O15  1  0.059  0.941  0.883  1.0
[/CIF]
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The material described by NaV2O5 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent V(1) atoms to form distorted corner-sharing ONa2V2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   11.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.536
_symmetry_Int_Tables_number   1
_cell_volume   236.273
_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  0.903  0.097  0.750  1.0
  Na  Na1  1  0.097  0.903  0.250  1.0
  V  V2  1  0.796  0.204  0.400  1.0
  V  V3  1  0.796  0.204  0.100  1.0
  V  V4  1  0.204  0.796  0.600  1.0
  V  V5  1  0.204  0.796  0.900  1.0
  O  O6  1  0.941  0.059  0.117  1.0
  O  O7  1  0.941  0.059  0.383  1.0
  O  O8  1  0.732  0.268  0.250  1.0
  O  O9  1  0.757  0.243  0.571  1.0
  O  O10  1  0.757  0.243  0.929  1.0
  O  O11  1  0.268  0.732  0.750  1.0
  O  O12  1  0.243  0.757  0.071  1.0
  O  O13  1  0.243  0.757  0.429  1.0
  O  O14  1  0.059  0.941  0.617  1.0
  O  O15  1  0.059  0.941  0.883  1.0
[/CIF]
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