The material described by NaV(PO4)2 crystallizes in the tetragonal P4_2nm space group. Na(1) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. V(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent P(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(1), 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(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Na(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one P(1) atom. is represented by the CIF file [CIF]
data_NaV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.220
_cell_length_b   8.220
_cell_length_c   10.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.328
_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  0.168  0.168  0.749  1.0
  Na  Na1  1  0.332  0.668  0.249  1.0
  Na  Na2  1  0.668  0.332  0.249  1.0
  Na  Na3  1  0.832  0.832  0.749  1.0
  V  V4  1  0.000  0.500  0.470  1.0
  V  V5  1  0.000  0.500  0.970  1.0
  V  V6  1  0.500  0.000  0.470  1.0
  V  V7  1  0.500  0.000  0.970  1.0
  P  P8  1  0.125  0.875  0.491  1.0
  P  P9  1  0.134  0.866  0.995  1.0
  P  P10  1  0.366  0.366  0.495  1.0
  P  P11  1  0.375  0.375  0.991  1.0
  P  P12  1  0.634  0.634  0.495  1.0
  P  P13  1  0.625  0.625  0.991  1.0
  P  P14  1  0.875  0.125  0.491  1.0
  P  P15  1  0.866  0.134  0.995  1.0
  O  O16  1  0.000  0.500  0.127  1.0
  O  O17  1  0.000  0.500  0.627  1.0
  O  O18  1  0.000  0.000  0.422  1.0
  O  O19  1  0.000  0.000  0.947  1.0
  O  O20  1  0.080  0.709  0.426  1.0
  O  O21  1  0.075  0.711  0.920  1.0
  O  O22  1  0.151  0.849  0.140  1.0
  O  O23  1  0.118  0.882  0.637  1.0
  O  O24  1  0.211  0.425  0.420  1.0
  O  O25  1  0.209  0.420  0.926  1.0
  O  O26  1  0.291  0.920  0.426  1.0
  O  O27  1  0.289  0.925  0.920  1.0
  O  O28  1  0.382  0.382  0.137  1.0
  O  O29  1  0.349  0.349  0.640  1.0
  O  O30  1  0.425  0.211  0.420  1.0
  O  O31  1  0.420  0.209  0.926  1.0
  O  O32  1  0.500  0.000  0.627  1.0
  O  O33  1  0.500  0.500  0.447  1.0
  O  O34  1  0.500  0.000  0.127  1.0
  O  O35  1  0.500  0.500  0.922  1.0
  O  O36  1  0.575  0.789  0.420  1.0
  O  O37  1  0.580  0.791  0.926  1.0
  O  O38  1  0.618  0.618  0.137  1.0
  O  O39  1  0.651  0.651  0.640  1.0
  O  O40  1  0.709  0.080  0.426  1.0
  O  O41  1  0.711  0.075  0.920  1.0
  O  O42  1  0.789  0.575  0.420  1.0
  O  O43  1  0.791  0.580  0.926  1.0
  O  O44  1  0.849  0.151  0.140  1.0
  O  O45  1  0.882  0.118  0.637  1.0
  O  O46  1  0.920  0.291  0.426  1.0
  O  O47  1  0.925  0.289  0.920  1.0
[/CIF]
.
The material described by NaV(PO4)2 crystallizes in the tetragonal P4_2nm space group. Na(1) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. V(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent P(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(1), 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(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Na(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one P(1) atom. is represented by the CIF file [CIF]
data_NaV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.220
_cell_length_b   8.220
_cell_length_c   10.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.328
_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  0.168  0.168  0.749  1.0
  Na  Na1  1  0.332  0.668  0.249  1.0
  Na  Na2  1  0.668  0.332  0.249  1.0
  Na  Na3  1  0.832  0.832  0.749  1.0
  V  V4  1  0.000  0.500  0.470  1.0
  V  V5  1  0.000  0.500  0.970  1.0
  V  V6  1  0.500  0.000  0.470  1.0
  V  V7  1  0.500  0.000  0.970  1.0
  P  P8  1  0.125  0.875  0.491  1.0
  P  P9  1  0.134  0.866  0.995  1.0
  P  P10  1  0.366  0.366  0.495  1.0
  P  P11  1  0.375  0.375  0.991  1.0
  P  P12  1  0.634  0.634  0.495  1.0
  P  P13  1  0.625  0.625  0.991  1.0
  P  P14  1  0.875  0.125  0.491  1.0
  P  P15  1  0.866  0.134  0.995  1.0
  O  O16  1  0.000  0.500  0.127  1.0
  O  O17  1  0.000  0.500  0.627  1.0
  O  O18  1  0.000  0.000  0.422  1.0
  O  O19  1  0.000  0.000  0.947  1.0
  O  O20  1  0.080  0.709  0.426  1.0
  O  O21  1  0.075  0.711  0.920  1.0
  O  O22  1  0.151  0.849  0.140  1.0
  O  O23  1  0.118  0.882  0.637  1.0
  O  O24  1  0.211  0.425  0.420  1.0
  O  O25  1  0.209  0.420  0.926  1.0
  O  O26  1  0.291  0.920  0.426  1.0
  O  O27  1  0.289  0.925  0.920  1.0
  O  O28  1  0.382  0.382  0.137  1.0
  O  O29  1  0.349  0.349  0.640  1.0
  O  O30  1  0.425  0.211  0.420  1.0
  O  O31  1  0.420  0.209  0.926  1.0
  O  O32  1  0.500  0.000  0.627  1.0
  O  O33  1  0.500  0.500  0.447  1.0
  O  O34  1  0.500  0.000  0.127  1.0
  O  O35  1  0.500  0.500  0.922  1.0
  O  O36  1  0.575  0.789  0.420  1.0
  O  O37  1  0.580  0.791  0.926  1.0
  O  O38  1  0.618  0.618  0.137  1.0
  O  O39  1  0.651  0.651  0.640  1.0
  O  O40  1  0.709  0.080  0.426  1.0
  O  O41  1  0.711  0.075  0.920  1.0
  O  O42  1  0.789  0.575  0.420  1.0
  O  O43  1  0.791  0.580  0.926  1.0
  O  O44  1  0.849  0.151  0.140  1.0
  O  O45  1  0.882  0.118  0.637  1.0
  O  O46  1  0.920  0.291  0.426  1.0
  O  O47  1  0.925  0.289  0.920  1.0
[/CIF]
.