The material structure described by Na2VPO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the fifth O site, O(5) is bonded to one Na(2), two equivalent Na(1), and one P(1) atom to form distorted edge-sharing ONa3P trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Na2VPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.577
_cell_length_b   6.283
_cell_length_c   8.275
_cell_angle_alpha   61.231
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.254
_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  0.074  0.738  0.069  1.0
  Na  Na1  1  0.142  0.886  0.425  1.0
  Na  Na2  1  0.642  0.114  0.075  1.0
  Na  Na3  1  0.358  0.886  0.925  1.0
  Na  Na4  1  0.574  0.262  0.431  1.0
  Na  Na5  1  0.858  0.114  0.575  1.0
  Na  Na6  1  0.926  0.262  0.931  1.0
  Na  Na7  1  0.426  0.738  0.569  1.0
  V  V8  1  0.782  0.592  0.123  1.0
  V  V9  1  0.282  0.408  0.377  1.0
  V  V10  1  0.218  0.408  0.877  1.0
  V  V11  1  0.718  0.592  0.623  1.0
  P  P12  1  0.887  0.789  0.304  1.0
  P  P13  1  0.113  0.211  0.696  1.0
  P  P14  1  0.613  0.789  0.804  1.0
  P  P15  1  0.387  0.211  0.196  1.0
  O  O16  1  0.656  0.778  0.985  1.0
  O  O17  1  0.891  0.527  0.322  1.0
  O  O18  1  0.302  0.097  0.355  1.0
  O  O19  1  0.802  0.903  0.145  1.0
  O  O20  1  0.277  0.678  0.763  1.0
  O  O21  1  0.109  0.473  0.678  1.0
  O  O22  1  0.009  0.076  0.755  1.0
  O  O23  1  0.723  0.322  0.237  1.0
  O  O24  1  0.359  0.409  0.539  1.0
  O  O25  1  0.698  0.903  0.645  1.0
  O  O26  1  0.141  0.409  0.039  1.0
  O  O27  1  0.641  0.591  0.461  1.0
  O  O28  1  0.859  0.591  0.961  1.0
  O  O29  1  0.344  0.222  0.015  1.0
  O  O30  1  0.223  0.678  0.263  1.0
  O  O31  1  0.509  0.924  0.745  1.0
  O  O32  1  0.156  0.222  0.515  1.0
  O  O33  1  0.777  0.322  0.737  1.0
  O  O34  1  0.491  0.076  0.255  1.0
  O  O35  1  0.198  0.097  0.855  1.0
  O  O36  1  0.609  0.527  0.822  1.0
  O  O37  1  0.991  0.924  0.245  1.0
  O  O38  1  0.391  0.473  0.178  1.0
  O  O39  1  0.844  0.778  0.485  1.0
[/CIF]
.
The material structure described by Na2VPO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the fifth O site, O(5) is bonded to one Na(2), two equivalent Na(1), and one P(1) atom to form distorted edge-sharing ONa3P trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Na2VPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.577
_cell_length_b   6.283
_cell_length_c   8.275
_cell_angle_alpha   61.231
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.254
_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  0.074  0.738  0.069  1.0
  Na  Na1  1  0.142  0.886  0.425  1.0
  Na  Na2  1  0.642  0.114  0.075  1.0
  Na  Na3  1  0.358  0.886  0.925  1.0
  Na  Na4  1  0.574  0.262  0.431  1.0
  Na  Na5  1  0.858  0.114  0.575  1.0
  Na  Na6  1  0.926  0.262  0.931  1.0
  Na  Na7  1  0.426  0.738  0.569  1.0
  V  V8  1  0.782  0.592  0.123  1.0
  V  V9  1  0.282  0.408  0.377  1.0
  V  V10  1  0.218  0.408  0.877  1.0
  V  V11  1  0.718  0.592  0.623  1.0
  P  P12  1  0.887  0.789  0.304  1.0
  P  P13  1  0.113  0.211  0.696  1.0
  P  P14  1  0.613  0.789  0.804  1.0
  P  P15  1  0.387  0.211  0.196  1.0
  O  O16  1  0.656  0.778  0.985  1.0
  O  O17  1  0.891  0.527  0.322  1.0
  O  O18  1  0.302  0.097  0.355  1.0
  O  O19  1  0.802  0.903  0.145  1.0
  O  O20  1  0.277  0.678  0.763  1.0
  O  O21  1  0.109  0.473  0.678  1.0
  O  O22  1  0.009  0.076  0.755  1.0
  O  O23  1  0.723  0.322  0.237  1.0
  O  O24  1  0.359  0.409  0.539  1.0
  O  O25  1  0.698  0.903  0.645  1.0
  O  O26  1  0.141  0.409  0.039  1.0
  O  O27  1  0.641  0.591  0.461  1.0
  O  O28  1  0.859  0.591  0.961  1.0
  O  O29  1  0.344  0.222  0.015  1.0
  O  O30  1  0.223  0.678  0.263  1.0
  O  O31  1  0.509  0.924  0.745  1.0
  O  O32  1  0.156  0.222  0.515  1.0
  O  O33  1  0.777  0.322  0.737  1.0
  O  O34  1  0.491  0.076  0.255  1.0
  O  O35  1  0.198  0.097  0.855  1.0
  O  O36  1  0.609  0.527  0.822  1.0
  O  O37  1  0.991  0.924  0.245  1.0
  O  O38  1  0.391  0.473  0.178  1.0
  O  O39  1  0.844  0.778  0.485  1.0
[/CIF]
.