The structure described by NaV3(PO4)3 crystallizes in the orthorhombic Imma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent V(1), and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one V(2), and one P(2) atom. is represented by the CIF file [CIF]
data_NaV3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.161
_cell_length_b   9.161
_cell_length_c   9.161
_cell_angle_alpha   137.983
_cell_angle_beta   108.696
_cell_angle_gamma   86.359
_symmetry_Int_Tables_number   1
_cell_volume   468.566
_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  0.250  0.649  0.399  1.0
  Na  Na1  1  0.750  0.351  0.601  1.0
  V  V2  1  0.386  0.886  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  V  V4  1  0.114  0.114  0.500  1.0
  V  V5  1  0.614  0.114  0.000  1.0
  V  V6  1  0.886  0.886  0.500  1.0
  V  V7  1  0.500  0.500  0.000  1.0
  P  P8  1  0.677  0.677  0.500  1.0
  P  P9  1  0.177  0.677  0.000  1.0
  P  P10  1  0.750  0.833  0.083  1.0
  P  P11  1  0.250  0.167  0.917  1.0
  P  P12  1  0.823  0.323  0.000  1.0
  P  P13  1  0.323  0.323  0.500  1.0
  O  O14  1  0.365  0.712  0.066  1.0
  O  O15  1  0.650  0.429  0.350  1.0
  O  O16  1  0.921  0.571  0.221  1.0
  O  O17  1  0.345  0.392  0.047  1.0
  O  O18  1  0.135  0.200  0.347  1.0
  O  O19  1  0.655  0.608  0.953  1.0
  O  O20  1  0.853  0.200  0.066  1.0
  O  O21  1  0.079  0.429  0.779  1.0
  O  O22  1  0.421  0.200  0.350  1.0
  O  O23  1  0.865  0.984  0.349  1.0
  O  O24  1  0.147  0.800  0.934  1.0
  O  O25  1  0.647  0.712  0.347  1.0
  O  O26  1  0.353  0.288  0.653  1.0
  O  O27  1  0.635  0.984  0.119  1.0
  O  O28  1  0.365  0.016  0.881  1.0
  O  O29  1  0.155  0.203  0.047  1.0
  O  O30  1  0.635  0.288  0.934  1.0
  O  O31  1  0.845  0.797  0.953  1.0
  O  O32  1  0.865  0.800  0.653  1.0
  O  O33  1  0.150  0.800  0.221  1.0
  O  O34  1  0.850  0.200  0.779  1.0
  O  O35  1  0.350  0.571  0.650  1.0
  O  O36  1  0.135  0.016  0.651  1.0
  O  O37  1  0.579  0.800  0.650  1.0
[/CIF]
.
The structure described by NaV3(PO4)3 crystallizes in the orthorhombic Imma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent V(1), and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one V(2), and one P(2) atom. is represented by the CIF file [CIF]
data_NaV3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.161
_cell_length_b   9.161
_cell_length_c   9.161
_cell_angle_alpha   137.983
_cell_angle_beta   108.696
_cell_angle_gamma   86.359
_symmetry_Int_Tables_number   1
_cell_volume   468.566
_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  0.250  0.649  0.399  1.0
  Na  Na1  1  0.750  0.351  0.601  1.0
  V  V2  1  0.386  0.886  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  V  V4  1  0.114  0.114  0.500  1.0
  V  V5  1  0.614  0.114  0.000  1.0
  V  V6  1  0.886  0.886  0.500  1.0
  V  V7  1  0.500  0.500  0.000  1.0
  P  P8  1  0.677  0.677  0.500  1.0
  P  P9  1  0.177  0.677  0.000  1.0
  P  P10  1  0.750  0.833  0.083  1.0
  P  P11  1  0.250  0.167  0.917  1.0
  P  P12  1  0.823  0.323  0.000  1.0
  P  P13  1  0.323  0.323  0.500  1.0
  O  O14  1  0.365  0.712  0.066  1.0
  O  O15  1  0.650  0.429  0.350  1.0
  O  O16  1  0.921  0.571  0.221  1.0
  O  O17  1  0.345  0.392  0.047  1.0
  O  O18  1  0.135  0.200  0.347  1.0
  O  O19  1  0.655  0.608  0.953  1.0
  O  O20  1  0.853  0.200  0.066  1.0
  O  O21  1  0.079  0.429  0.779  1.0
  O  O22  1  0.421  0.200  0.350  1.0
  O  O23  1  0.865  0.984  0.349  1.0
  O  O24  1  0.147  0.800  0.934  1.0
  O  O25  1  0.647  0.712  0.347  1.0
  O  O26  1  0.353  0.288  0.653  1.0
  O  O27  1  0.635  0.984  0.119  1.0
  O  O28  1  0.365  0.016  0.881  1.0
  O  O29  1  0.155  0.203  0.047  1.0
  O  O30  1  0.635  0.288  0.934  1.0
  O  O31  1  0.845  0.797  0.953  1.0
  O  O32  1  0.865  0.800  0.653  1.0
  O  O33  1  0.150  0.800  0.221  1.0
  O  O34  1  0.850  0.200  0.779  1.0
  O  O35  1  0.350  0.571  0.650  1.0
  O  O36  1  0.135  0.016  0.651  1.0
  O  O37  1  0.579  0.800  0.650  1.0
[/CIF]
.