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(1), one O(12), one O(3), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(4), and one O(6) 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 33-38°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) 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 16-39°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), 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 22-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(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 bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a linear 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(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. is represented by the CIF card [CIF]
data_V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.365
_cell_length_b   8.366
_cell_length_c   8.705
_cell_angle_alpha   90.427
_cell_angle_beta   117.916
_cell_angle_gamma   119.636
_symmetry_Int_Tables_number   1
_cell_volume   444.658
_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  0.218  0.863  0.081  1.0
  V  V1  1  0.210  0.360  0.566  1.0
  V  V2  1  0.790  0.640  0.434  1.0
  V  V3  1  0.782  0.137  0.919  1.0
  P  P4  1  0.993  0.968  0.245  1.0
  P  P5  1  0.007  0.032  0.755  1.0
  P  P6  1  0.717  0.247  0.256  1.0
  P  P7  1  0.283  0.753  0.744  1.0
  P  P8  1  0.277  0.529  0.252  1.0
  P  P9  1  0.723  0.471  0.748  1.0
  O  O10  1  0.139  0.017  0.945  1.0
  O  O11  1  0.234  0.523  0.406  1.0
  O  O12  1  0.861  0.983  0.055  1.0
  O  O13  1  0.495  0.090  0.230  1.0
  O  O14  1  0.868  0.098  0.767  1.0
  O  O15  1  0.738  0.441  0.269  1.0
  O  O16  1  0.156  0.170  0.390  1.0
  O  O17  1  0.766  0.477  0.594  1.0
  O  O18  1  0.709  0.187  0.083  1.0
  O  O19  1  0.262  0.559  0.731  1.0
  O  O20  1  0.105  0.750  0.571  1.0
  O  O21  1  0.312  0.722  0.210  1.0
  O  O22  1  0.476  0.529  0.298  1.0
  O  O23  1  0.166  0.179  0.709  1.0
  O  O24  1  0.132  0.902  0.233  1.0
  O  O25  1  0.688  0.278  0.790  1.0
  O  O26  1  0.505  0.910  0.770  1.0
  O  O27  1  0.072  0.360  0.075  1.0
  O  O28  1  0.895  0.250  0.429  1.0
  O  O29  1  0.291  0.813  0.917  1.0
  O  O30  1  0.844  0.830  0.610  1.0
  O  O31  1  0.834  0.821  0.291  1.0
  O  O32  1  0.928  0.640  0.925  1.0
  O  O33  1  0.524  0.471  0.702  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(1), one O(12), one O(3), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(4), and one O(6) 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 33-38°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) 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 16-39°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), 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 22-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(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 bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a linear 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(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. is represented by the CIF card [CIF]
data_V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.365
_cell_length_b   8.366
_cell_length_c   8.705
_cell_angle_alpha   90.427
_cell_angle_beta   117.916
_cell_angle_gamma   119.636
_symmetry_Int_Tables_number   1
_cell_volume   444.658
_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  0.218  0.863  0.081  1.0
  V  V1  1  0.210  0.360  0.566  1.0
  V  V2  1  0.790  0.640  0.434  1.0
  V  V3  1  0.782  0.137  0.919  1.0
  P  P4  1  0.993  0.968  0.245  1.0
  P  P5  1  0.007  0.032  0.755  1.0
  P  P6  1  0.717  0.247  0.256  1.0
  P  P7  1  0.283  0.753  0.744  1.0
  P  P8  1  0.277  0.529  0.252  1.0
  P  P9  1  0.723  0.471  0.748  1.0
  O  O10  1  0.139  0.017  0.945  1.0
  O  O11  1  0.234  0.523  0.406  1.0
  O  O12  1  0.861  0.983  0.055  1.0
  O  O13  1  0.495  0.090  0.230  1.0
  O  O14  1  0.868  0.098  0.767  1.0
  O  O15  1  0.738  0.441  0.269  1.0
  O  O16  1  0.156  0.170  0.390  1.0
  O  O17  1  0.766  0.477  0.594  1.0
  O  O18  1  0.709  0.187  0.083  1.0
  O  O19  1  0.262  0.559  0.731  1.0
  O  O20  1  0.105  0.750  0.571  1.0
  O  O21  1  0.312  0.722  0.210  1.0
  O  O22  1  0.476  0.529  0.298  1.0
  O  O23  1  0.166  0.179  0.709  1.0
  O  O24  1  0.132  0.902  0.233  1.0
  O  O25  1  0.688  0.278  0.790  1.0
  O  O26  1  0.505  0.910  0.770  1.0
  O  O27  1  0.072  0.360  0.075  1.0
  O  O28  1  0.895  0.250  0.429  1.0
  O  O29  1  0.291  0.813  0.917  1.0
  O  O30  1  0.844  0.830  0.610  1.0
  O  O31  1  0.834  0.821  0.291  1.0
  O  O32  1  0.928  0.640  0.925  1.0
  O  O33  1  0.524  0.471  0.702  1.0
[/CIF]
.