The material structure described by V4(PO4)3 crystallizes in the tetragonal I-42d space group. 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(3) 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, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. In the second P site, P(2) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.740
_cell_length_b   10.740
_cell_length_c   10.740
_cell_angle_alpha   143.462
_cell_angle_beta   143.462
_cell_angle_gamma   52.633
_symmetry_Int_Tables_number   1
_cell_volume   436.455
_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
  V  V0  1  0.125  0.125  0.500  1.0
  V  V1  1  0.227  0.227  0.000  1.0
  V  V2  1  0.523  0.023  0.500  1.0
  V  V3  1  0.773  0.773  0.000  1.0
  V  V4  1  0.375  0.875  0.000  1.0
  V  V5  1  0.625  0.625  0.500  1.0
  V  V6  1  0.977  0.477  0.500  1.0
  V  V7  1  0.875  0.375  1.000  1.0
  P  P8  1  0.526  0.125  0.901  1.0
  P  P9  1  0.000  0.000  0.000  1.0
  P  P10  1  0.224  0.625  0.099  1.0
  P  P11  1  0.875  0.776  0.401  1.0
  P  P12  1  0.750  0.250  0.500  1.0
  P  P13  1  0.375  0.474  0.599  1.0
  O  O14  1  0.850  0.103  0.369  1.0
  O  O15  1  0.319  0.108  0.801  1.0
  O  O16  1  0.443  0.142  0.711  1.0
  O  O17  1  0.017  0.147  0.247  1.0
  O  O18  1  0.632  0.919  0.841  1.0
  O  O19  1  0.853  0.100  0.869  1.0
  O  O20  1  0.519  0.150  0.253  1.0
  O  O21  1  0.231  0.983  0.131  1.0
  O  O22  1  0.078  0.791  0.159  1.0
  O  O23  1  0.900  0.769  0.753  1.0
  O  O24  1  0.431  0.732  0.289  1.0
  O  O25  1  0.081  0.922  0.713  1.0
  O  O26  1  0.669  0.882  0.341  1.0
  O  O27  1  0.307  0.518  0.199  1.0
  O  O28  1  0.733  0.481  0.631  1.0
  O  O29  1  0.118  0.459  0.787  1.0
  O  O30  1  0.892  0.693  0.211  1.0
  O  O31  1  0.858  0.569  0.301  1.0
  O  O32  1  0.482  0.681  0.789  1.0
  O  O33  1  0.268  0.557  0.699  1.0
  O  O34  1  0.672  0.331  0.213  1.0
  O  O35  1  0.209  0.368  0.287  1.0
  O  O36  1  0.541  0.328  0.659  1.0
  O  O37  1  0.897  0.267  0.747  1.0
[/CIF]
.
The material structure described by V4(PO4)3 crystallizes in the tetragonal I-42d space group. 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(3) 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, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. In the second P site, P(2) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.740
_cell_length_b   10.740
_cell_length_c   10.740
_cell_angle_alpha   143.462
_cell_angle_beta   143.462
_cell_angle_gamma   52.633
_symmetry_Int_Tables_number   1
_cell_volume   436.455
_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
  V  V0  1  0.125  0.125  0.500  1.0
  V  V1  1  0.227  0.227  0.000  1.0
  V  V2  1  0.523  0.023  0.500  1.0
  V  V3  1  0.773  0.773  0.000  1.0
  V  V4  1  0.375  0.875  0.000  1.0
  V  V5  1  0.625  0.625  0.500  1.0
  V  V6  1  0.977  0.477  0.500  1.0
  V  V7  1  0.875  0.375  1.000  1.0
  P  P8  1  0.526  0.125  0.901  1.0
  P  P9  1  0.000  0.000  0.000  1.0
  P  P10  1  0.224  0.625  0.099  1.0
  P  P11  1  0.875  0.776  0.401  1.0
  P  P12  1  0.750  0.250  0.500  1.0
  P  P13  1  0.375  0.474  0.599  1.0
  O  O14  1  0.850  0.103  0.369  1.0
  O  O15  1  0.319  0.108  0.801  1.0
  O  O16  1  0.443  0.142  0.711  1.0
  O  O17  1  0.017  0.147  0.247  1.0
  O  O18  1  0.632  0.919  0.841  1.0
  O  O19  1  0.853  0.100  0.869  1.0
  O  O20  1  0.519  0.150  0.253  1.0
  O  O21  1  0.231  0.983  0.131  1.0
  O  O22  1  0.078  0.791  0.159  1.0
  O  O23  1  0.900  0.769  0.753  1.0
  O  O24  1  0.431  0.732  0.289  1.0
  O  O25  1  0.081  0.922  0.713  1.0
  O  O26  1  0.669  0.882  0.341  1.0
  O  O27  1  0.307  0.518  0.199  1.0
  O  O28  1  0.733  0.481  0.631  1.0
  O  O29  1  0.118  0.459  0.787  1.0
  O  O30  1  0.892  0.693  0.211  1.0
  O  O31  1  0.858  0.569  0.301  1.0
  O  O32  1  0.482  0.681  0.789  1.0
  O  O33  1  0.268  0.557  0.699  1.0
  O  O34  1  0.672  0.331  0.213  1.0
  O  O35  1  0.209  0.368  0.287  1.0
  O  O36  1  0.541  0.328  0.659  1.0
  O  O37  1  0.897  0.267  0.747  1.0
[/CIF]
.