The compound described by Na3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. V(1) 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 VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-41°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. There are six inequivalent O sites. In the first O site, O(1) 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 second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one V(1), and one P(1) atom to form distorted corner-sharing ONa3VP trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Na(2), one V(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na3V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.873
_cell_length_b   8.873
_cell_length_c   8.890
_cell_angle_alpha   60.120
_cell_angle_beta   60.120
_cell_angle_gamma   60.421
_symmetry_Int_Tables_number   1
_cell_volume   497.397
_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  0.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.105  0.247  0.765  1.0
  Na  Na3  1  0.753  0.895  0.735  1.0
  Na  Na4  1  0.247  0.105  0.265  1.0
  Na  Na5  1  0.895  0.753  0.235  1.0
  V  V6  1  0.151  0.640  0.562  1.0
  V  V7  1  0.640  0.151  0.062  1.0
  V  V8  1  0.360  0.849  0.938  1.0
  V  V9  1  0.849  0.360  0.438  1.0
  P  P10  1  0.547  0.748  0.243  1.0
  P  P11  1  0.043  0.957  0.750  1.0
  P  P12  1  0.252  0.453  0.257  1.0
  P  P13  1  0.748  0.547  0.743  1.0
  P  P14  1  0.957  0.043  0.250  1.0
  P  P15  1  0.453  0.252  0.757  1.0
  O  O16  1  0.730  0.587  0.251  1.0
  O  O17  1  0.564  0.914  0.247  1.0
  O  O18  1  0.220  0.938  0.763  1.0
  O  O19  1  0.528  0.799  0.057  1.0
  O  O20  1  0.376  0.711  0.405  1.0
  O  O21  1  0.875  0.984  0.924  1.0
  O  O22  1  0.062  0.780  0.737  1.0
  O  O23  1  0.413  0.270  0.249  1.0
  O  O24  1  0.201  0.472  0.443  1.0
  O  O25  1  0.289  0.624  0.095  1.0
  O  O26  1  0.984  0.875  0.424  1.0
  O  O27  1  0.914  0.564  0.747  1.0
  O  O28  1  0.086  0.436  0.253  1.0
  O  O29  1  0.016  0.125  0.576  1.0
  O  O30  1  0.711  0.376  0.905  1.0
  O  O31  1  0.799  0.528  0.557  1.0
  O  O32  1  0.587  0.730  0.751  1.0
  O  O33  1  0.938  0.220  0.263  1.0
  O  O34  1  0.125  0.016  0.076  1.0
  O  O35  1  0.624  0.289  0.595  1.0
  O  O36  1  0.472  0.201  0.943  1.0
  O  O37  1  0.780  0.062  0.237  1.0
  O  O38  1  0.436  0.086  0.753  1.0
  O  O39  1  0.270  0.413  0.749  1.0
[/CIF]
.
The compound described by Na3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. V(1) 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 VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-41°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. There are six inequivalent O sites. In the first O site, O(1) 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 second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one V(1), and one P(1) atom to form distorted corner-sharing ONa3VP trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Na(2), one V(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na3V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.873
_cell_length_b   8.873
_cell_length_c   8.890
_cell_angle_alpha   60.120
_cell_angle_beta   60.120
_cell_angle_gamma   60.421
_symmetry_Int_Tables_number   1
_cell_volume   497.397
_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  0.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.105  0.247  0.765  1.0
  Na  Na3  1  0.753  0.895  0.735  1.0
  Na  Na4  1  0.247  0.105  0.265  1.0
  Na  Na5  1  0.895  0.753  0.235  1.0
  V  V6  1  0.151  0.640  0.562  1.0
  V  V7  1  0.640  0.151  0.062  1.0
  V  V8  1  0.360  0.849  0.938  1.0
  V  V9  1  0.849  0.360  0.438  1.0
  P  P10  1  0.547  0.748  0.243  1.0
  P  P11  1  0.043  0.957  0.750  1.0
  P  P12  1  0.252  0.453  0.257  1.0
  P  P13  1  0.748  0.547  0.743  1.0
  P  P14  1  0.957  0.043  0.250  1.0
  P  P15  1  0.453  0.252  0.757  1.0
  O  O16  1  0.730  0.587  0.251  1.0
  O  O17  1  0.564  0.914  0.247  1.0
  O  O18  1  0.220  0.938  0.763  1.0
  O  O19  1  0.528  0.799  0.057  1.0
  O  O20  1  0.376  0.711  0.405  1.0
  O  O21  1  0.875  0.984  0.924  1.0
  O  O22  1  0.062  0.780  0.737  1.0
  O  O23  1  0.413  0.270  0.249  1.0
  O  O24  1  0.201  0.472  0.443  1.0
  O  O25  1  0.289  0.624  0.095  1.0
  O  O26  1  0.984  0.875  0.424  1.0
  O  O27  1  0.914  0.564  0.747  1.0
  O  O28  1  0.086  0.436  0.253  1.0
  O  O29  1  0.016  0.125  0.576  1.0
  O  O30  1  0.711  0.376  0.905  1.0
  O  O31  1  0.799  0.528  0.557  1.0
  O  O32  1  0.587  0.730  0.751  1.0
  O  O33  1  0.938  0.220  0.263  1.0
  O  O34  1  0.125  0.016  0.076  1.0
  O  O35  1  0.624  0.289  0.595  1.0
  O  O36  1  0.472  0.201  0.943  1.0
  O  O37  1  0.780  0.062  0.237  1.0
  O  O38  1  0.436  0.086  0.753  1.0
  O  O39  1  0.270  0.413  0.749  1.0
[/CIF]
.