The material described by V2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(12), one O(9), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-38°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   8.150
_cell_length_c   9.428
_cell_angle_alpha   109.421
_cell_angle_beta   104.651
_cell_angle_gamma   102.585
_symmetry_Int_Tables_number   1
_cell_volume   412.501
_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  0.361  0.456  0.115  1.0
  V  V1  1  0.944  0.286  0.481  1.0
  V  V2  1  0.639  0.544  0.885  1.0
  V  V3  1  0.056  0.714  0.519  1.0
  P  P4  1  0.780  0.832  0.246  1.0
  P  P5  1  0.220  0.168  0.754  1.0
  P  P6  1  0.615  0.777  0.648  1.0
  P  P7  1  0.385  0.223  0.352  1.0
  P  P8  1  0.867  0.372  0.155  1.0
  P  P9  1  0.133  0.628  0.845  1.0
  O  O10  1  0.710  0.975  0.753  1.0
  O  O11  1  0.290  0.025  0.247  1.0
  O  O12  1  0.175  0.828  0.915  1.0
  O  O13  1  0.825  0.172  0.085  1.0
  O  O14  1  0.198  0.967  0.686  1.0
  O  O15  1  0.802  0.033  0.314  1.0
  O  O16  1  0.356  0.710  0.527  1.0
  O  O17  1  0.644  0.290  0.473  1.0
  O  O18  1  0.082  0.549  0.656  1.0
  O  O19  1  0.918  0.451  0.344  1.0
  O  O20  1  0.761  0.700  0.547  1.0
  O  O21  1  0.239  0.300  0.453  1.0
  O  O22  1  0.980  0.795  0.350  1.0
  O  O23  1  0.672  0.444  0.077  1.0
  O  O24  1  0.328  0.556  0.923  1.0
  O  O25  1  0.540  0.707  0.238  1.0
  O  O26  1  0.460  0.293  0.762  1.0
  O  O27  1  0.097  0.490  0.140  1.0
  O  O28  1  0.020  0.205  0.650  1.0
  O  O29  1  0.413  0.355  0.254  1.0
  O  O30  1  0.587  0.645  0.746  1.0
  O  O31  1  0.222  0.233  0.931  1.0
  O  O32  1  0.778  0.767  0.069  1.0
  O  O33  1  0.903  0.510  0.860  1.0
[/CIF]
.
The material described by V2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(12), one O(9), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-38°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   8.150
_cell_length_c   9.428
_cell_angle_alpha   109.421
_cell_angle_beta   104.651
_cell_angle_gamma   102.585
_symmetry_Int_Tables_number   1
_cell_volume   412.501
_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  0.361  0.456  0.115  1.0
  V  V1  1  0.944  0.286  0.481  1.0
  V  V2  1  0.639  0.544  0.885  1.0
  V  V3  1  0.056  0.714  0.519  1.0
  P  P4  1  0.780  0.832  0.246  1.0
  P  P5  1  0.220  0.168  0.754  1.0
  P  P6  1  0.615  0.777  0.648  1.0
  P  P7  1  0.385  0.223  0.352  1.0
  P  P8  1  0.867  0.372  0.155  1.0
  P  P9  1  0.133  0.628  0.845  1.0
  O  O10  1  0.710  0.975  0.753  1.0
  O  O11  1  0.290  0.025  0.247  1.0
  O  O12  1  0.175  0.828  0.915  1.0
  O  O13  1  0.825  0.172  0.085  1.0
  O  O14  1  0.198  0.967  0.686  1.0
  O  O15  1  0.802  0.033  0.314  1.0
  O  O16  1  0.356  0.710  0.527  1.0
  O  O17  1  0.644  0.290  0.473  1.0
  O  O18  1  0.082  0.549  0.656  1.0
  O  O19  1  0.918  0.451  0.344  1.0
  O  O20  1  0.761  0.700  0.547  1.0
  O  O21  1  0.239  0.300  0.453  1.0
  O  O22  1  0.980  0.795  0.350  1.0
  O  O23  1  0.672  0.444  0.077  1.0
  O  O24  1  0.328  0.556  0.923  1.0
  O  O25  1  0.540  0.707  0.238  1.0
  O  O26  1  0.460  0.293  0.762  1.0
  O  O27  1  0.097  0.490  0.140  1.0
  O  O28  1  0.020  0.205  0.650  1.0
  O  O29  1  0.413  0.355  0.254  1.0
  O  O30  1  0.587  0.645  0.746  1.0
  O  O31  1  0.222  0.233  0.931  1.0
  O  O32  1  0.778  0.767  0.069  1.0
  O  O33  1  0.903  0.510  0.860  1.0
[/CIF]
.