The material structure described by NaV(PO4)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(6) atoms to form distorted NaO5 trigonal bipyramids that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-61°. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Na(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Na(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-45°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-43°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF file [CIF]
data_NaV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.725
_cell_length_b   6.254
_cell_length_c   7.636
_cell_angle_alpha   81.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   648.272
_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  0.204  0.345  0.083  1.0
  Na  Na1  1  0.296  0.845  0.083  1.0
  Na  Na2  1  0.704  0.155  0.917  1.0
  Na  Na3  1  0.796  0.655  0.917  1.0
  V  V4  1  0.924  0.233  0.239  1.0
  V  V5  1  0.576  0.733  0.239  1.0
  V  V6  1  0.424  0.267  0.761  1.0
  V  V7  1  0.076  0.767  0.761  1.0
  P  P8  1  0.517  0.247  0.171  1.0
  P  P9  1  0.983  0.747  0.171  1.0
  P  P10  1  0.369  0.466  0.360  1.0
  P  P11  1  0.131  0.966  0.360  1.0
  P  P12  1  0.869  0.034  0.640  1.0
  P  P13  1  0.631  0.534  0.640  1.0
  P  P14  1  0.017  0.253  0.829  1.0
  P  P15  1  0.483  0.753  0.829  1.0
  O  O16  1  0.019  0.259  0.029  1.0
  O  O17  1  0.481  0.759  0.029  1.0
  O  O18  1  0.830  0.301  0.109  1.0
  O  O19  1  0.670  0.801  0.109  1.0
  O  O20  1  0.410  0.300  0.228  1.0
  O  O21  1  0.542  0.022  0.272  1.0
  O  O22  1  0.588  0.420  0.218  1.0
  O  O23  1  0.228  0.037  0.281  1.0
  O  O24  1  0.090  0.800  0.228  1.0
  O  O25  1  0.958  0.522  0.272  1.0
  O  O26  1  0.912  0.920  0.218  1.0
  O  O27  1  0.272  0.537  0.281  1.0
  O  O28  1  0.055  0.142  0.365  1.0
  O  O29  1  0.445  0.642  0.365  1.0
  O  O30  1  0.859  0.178  0.455  1.0
  O  O31  1  0.641  0.678  0.455  1.0
  O  O32  1  0.359  0.322  0.545  1.0
  O  O33  1  0.141  0.822  0.545  1.0
  O  O34  1  0.555  0.358  0.635  1.0
  O  O35  1  0.945  0.858  0.635  1.0
  O  O36  1  0.728  0.463  0.719  1.0
  O  O37  1  0.088  0.080  0.782  1.0
  O  O38  1  0.042  0.478  0.728  1.0
  O  O39  1  0.910  0.200  0.772  1.0
  O  O40  1  0.772  0.963  0.719  1.0
  O  O41  1  0.412  0.580  0.782  1.0
  O  O42  1  0.458  0.978  0.728  1.0
  O  O43  1  0.590  0.700  0.772  1.0
  O  O44  1  0.330  0.199  0.891  1.0
  O  O45  1  0.170  0.699  0.891  1.0
  O  O46  1  0.519  0.241  0.971  1.0
  O  O47  1  0.981  0.741  0.971  1.0
[/CIF]
.
The material structure described by NaV(PO4)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(6) atoms to form distorted NaO5 trigonal bipyramids that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-61°. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Na(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Na(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-45°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-43°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF file [CIF]
data_NaV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.725
_cell_length_b   6.254
_cell_length_c   7.636
_cell_angle_alpha   81.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   648.272
_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  0.204  0.345  0.083  1.0
  Na  Na1  1  0.296  0.845  0.083  1.0
  Na  Na2  1  0.704  0.155  0.917  1.0
  Na  Na3  1  0.796  0.655  0.917  1.0
  V  V4  1  0.924  0.233  0.239  1.0
  V  V5  1  0.576  0.733  0.239  1.0
  V  V6  1  0.424  0.267  0.761  1.0
  V  V7  1  0.076  0.767  0.761  1.0
  P  P8  1  0.517  0.247  0.171  1.0
  P  P9  1  0.983  0.747  0.171  1.0
  P  P10  1  0.369  0.466  0.360  1.0
  P  P11  1  0.131  0.966  0.360  1.0
  P  P12  1  0.869  0.034  0.640  1.0
  P  P13  1  0.631  0.534  0.640  1.0
  P  P14  1  0.017  0.253  0.829  1.0
  P  P15  1  0.483  0.753  0.829  1.0
  O  O16  1  0.019  0.259  0.029  1.0
  O  O17  1  0.481  0.759  0.029  1.0
  O  O18  1  0.830  0.301  0.109  1.0
  O  O19  1  0.670  0.801  0.109  1.0
  O  O20  1  0.410  0.300  0.228  1.0
  O  O21  1  0.542  0.022  0.272  1.0
  O  O22  1  0.588  0.420  0.218  1.0
  O  O23  1  0.228  0.037  0.281  1.0
  O  O24  1  0.090  0.800  0.228  1.0
  O  O25  1  0.958  0.522  0.272  1.0
  O  O26  1  0.912  0.920  0.218  1.0
  O  O27  1  0.272  0.537  0.281  1.0
  O  O28  1  0.055  0.142  0.365  1.0
  O  O29  1  0.445  0.642  0.365  1.0
  O  O30  1  0.859  0.178  0.455  1.0
  O  O31  1  0.641  0.678  0.455  1.0
  O  O32  1  0.359  0.322  0.545  1.0
  O  O33  1  0.141  0.822  0.545  1.0
  O  O34  1  0.555  0.358  0.635  1.0
  O  O35  1  0.945  0.858  0.635  1.0
  O  O36  1  0.728  0.463  0.719  1.0
  O  O37  1  0.088  0.080  0.782  1.0
  O  O38  1  0.042  0.478  0.728  1.0
  O  O39  1  0.910  0.200  0.772  1.0
  O  O40  1  0.772  0.963  0.719  1.0
  O  O41  1  0.412  0.580  0.782  1.0
  O  O42  1  0.458  0.978  0.728  1.0
  O  O43  1  0.590  0.700  0.772  1.0
  O  O44  1  0.330  0.199  0.891  1.0
  O  O45  1  0.170  0.699  0.891  1.0
  O  O46  1  0.519  0.241  0.971  1.0
  O  O47  1  0.981  0.741  0.971  1.0
[/CIF]
.