The structure described by Na2VPO6 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra and  an edgeedge with one Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one V(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing ONa2VP tetrahedra. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one V(1), and one P(1) atom to form a mixture of edge and corner-sharing ONa2VP tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2VPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   9.028
_cell_length_c   11.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.390
_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  0.014  0.323  0.081  1.0
  Na  Na1  1  0.539  0.622  0.127  1.0
  Na  Na2  1  0.039  0.122  0.373  1.0
  Na  Na3  1  0.514  0.823  0.419  1.0
  Na  Na4  1  0.486  0.323  0.581  1.0
  Na  Na5  1  0.961  0.622  0.627  1.0
  Na  Na6  1  0.461  0.122  0.873  1.0
  Na  Na7  1  0.986  0.823  0.919  1.0
  V  V8  1  0.473  0.001  0.125  1.0
  V  V9  1  0.973  0.501  0.375  1.0
  V  V10  1  0.027  0.001  0.625  1.0
  V  V11  1  0.527  0.501  0.875  1.0
  P  P12  1  0.086  0.807  0.221  1.0
  P  P13  1  0.586  0.307  0.279  1.0
  P  P14  1  0.414  0.807  0.721  1.0
  P  P15  1  0.914  0.307  0.779  1.0
  O  O16  1  0.318  0.471  0.987  1.0
  O  O17  1  0.251  0.115  0.064  1.0
  O  O18  1  0.234  0.813  0.098  1.0
  O  O19  1  0.747  0.434  0.217  1.0
  O  O20  1  0.780  0.827  0.219  1.0
  O  O21  1  0.662  0.153  0.223  1.0
  O  O22  1  0.162  0.653  0.277  1.0
  O  O23  1  0.280  0.327  0.281  1.0
  O  O24  1  0.247  0.934  0.283  1.0
  O  O25  1  0.734  0.313  0.402  1.0
  O  O26  1  0.751  0.615  0.436  1.0
  O  O27  1  0.818  0.971  0.513  1.0
  O  O28  1  0.182  0.471  0.487  1.0
  O  O29  1  0.249  0.115  0.564  1.0
  O  O30  1  0.266  0.813  0.598  1.0
  O  O31  1  0.753  0.434  0.717  1.0
  O  O32  1  0.720  0.827  0.719  1.0
  O  O33  1  0.838  0.153  0.723  1.0
  O  O34  1  0.338  0.653  0.777  1.0
  O  O35  1  0.220  0.327  0.781  1.0
  O  O36  1  0.253  0.934  0.783  1.0
  O  O37  1  0.766  0.313  0.902  1.0
  O  O38  1  0.749  0.615  0.936  1.0
  O  O39  1  0.682  0.971  0.013  1.0
[/CIF]
.
The structure described by Na2VPO6 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra and  an edgeedge with one Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one V(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing ONa2VP tetrahedra. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one V(1), and one P(1) atom to form a mixture of edge and corner-sharing ONa2VP tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2VPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   9.028
_cell_length_c   11.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.390
_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  0.014  0.323  0.081  1.0
  Na  Na1  1  0.539  0.622  0.127  1.0
  Na  Na2  1  0.039  0.122  0.373  1.0
  Na  Na3  1  0.514  0.823  0.419  1.0
  Na  Na4  1  0.486  0.323  0.581  1.0
  Na  Na5  1  0.961  0.622  0.627  1.0
  Na  Na6  1  0.461  0.122  0.873  1.0
  Na  Na7  1  0.986  0.823  0.919  1.0
  V  V8  1  0.473  0.001  0.125  1.0
  V  V9  1  0.973  0.501  0.375  1.0
  V  V10  1  0.027  0.001  0.625  1.0
  V  V11  1  0.527  0.501  0.875  1.0
  P  P12  1  0.086  0.807  0.221  1.0
  P  P13  1  0.586  0.307  0.279  1.0
  P  P14  1  0.414  0.807  0.721  1.0
  P  P15  1  0.914  0.307  0.779  1.0
  O  O16  1  0.318  0.471  0.987  1.0
  O  O17  1  0.251  0.115  0.064  1.0
  O  O18  1  0.234  0.813  0.098  1.0
  O  O19  1  0.747  0.434  0.217  1.0
  O  O20  1  0.780  0.827  0.219  1.0
  O  O21  1  0.662  0.153  0.223  1.0
  O  O22  1  0.162  0.653  0.277  1.0
  O  O23  1  0.280  0.327  0.281  1.0
  O  O24  1  0.247  0.934  0.283  1.0
  O  O25  1  0.734  0.313  0.402  1.0
  O  O26  1  0.751  0.615  0.436  1.0
  O  O27  1  0.818  0.971  0.513  1.0
  O  O28  1  0.182  0.471  0.487  1.0
  O  O29  1  0.249  0.115  0.564  1.0
  O  O30  1  0.266  0.813  0.598  1.0
  O  O31  1  0.753  0.434  0.717  1.0
  O  O32  1  0.720  0.827  0.719  1.0
  O  O33  1  0.838  0.153  0.723  1.0
  O  O34  1  0.338  0.653  0.777  1.0
  O  O35  1  0.220  0.327  0.781  1.0
  O  O36  1  0.253  0.934  0.783  1.0
  O  O37  1  0.766  0.313  0.902  1.0
  O  O38  1  0.749  0.615  0.936  1.0
  O  O39  1  0.682  0.971  0.013  1.0
[/CIF]
.