The material described by VOPO4 crystallizes in the orthorhombic Fdd2 space group. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. 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 four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. There are five 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(3) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. 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 120 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.026
_cell_length_b   8.735
_cell_length_c   6.954
_cell_angle_alpha   78.537
_cell_angle_beta   58.638
_cell_angle_gamma   42.825
_symmetry_Int_Tables_number   1
_cell_volume   335.473
_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
  V  V0  1  0.878  0.386  0.401  1.0
  V  V1  1  0.335  0.401  0.386  1.0
  V  V2  1  0.864  0.372  0.915  1.0
  V  V3  1  0.849  0.915  0.372  1.0
  P  P4  1  0.030  0.541  0.968  1.0
  P  P5  1  0.709  0.220  0.789  1.0
  P  P6  1  0.461  0.968  0.541  1.0
  P  P7  1  0.282  0.789  0.220  1.0
  O  O8  1  0.608  0.712  0.434  1.0
  O  O9  1  0.668  0.173  0.336  1.0
  O  O10  1  0.315  0.637  0.392  1.0
  O  O11  1  0.816  0.004  0.642  1.0
  O  O12  1  0.212  0.103  0.758  1.0
  O  O13  1  0.424  0.117  0.367  1.0
  O  O14  1  0.077  0.582  0.428  1.0
  O  O15  1  0.822  0.336  0.173  1.0
  O  O16  1  0.914  0.428  0.582  1.0
  O  O17  1  0.147  0.038  0.323  1.0
  O  O18  1  0.246  0.434  0.712  1.0
  O  O19  1  0.492  0.323  0.038  1.0
  O  O20  1  0.927  0.758  0.103  1.0
  O  O21  1  0.133  0.826  0.158  1.0
  O  O22  1  0.092  0.367  0.117  1.0
  O  O23  1  0.883  0.158  0.826  1.0
  O  O24  1  0.858  0.594  0.935  1.0
  O  O25  1  0.656  0.392  0.637  1.0
  O  O26  1  0.538  0.642  0.004  1.0
  O  O27  1  0.613  0.935  0.594  1.0
[/CIF]
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The material described by VOPO4 crystallizes in the orthorhombic Fdd2 space group. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. 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 four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. There are five 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(3) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. 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 120 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.026
_cell_length_b   8.735
_cell_length_c   6.954
_cell_angle_alpha   78.537
_cell_angle_beta   58.638
_cell_angle_gamma   42.825
_symmetry_Int_Tables_number   1
_cell_volume   335.473
_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
  V  V0  1  0.878  0.386  0.401  1.0
  V  V1  1  0.335  0.401  0.386  1.0
  V  V2  1  0.864  0.372  0.915  1.0
  V  V3  1  0.849  0.915  0.372  1.0
  P  P4  1  0.030  0.541  0.968  1.0
  P  P5  1  0.709  0.220  0.789  1.0
  P  P6  1  0.461  0.968  0.541  1.0
  P  P7  1  0.282  0.789  0.220  1.0
  O  O8  1  0.608  0.712  0.434  1.0
  O  O9  1  0.668  0.173  0.336  1.0
  O  O10  1  0.315  0.637  0.392  1.0
  O  O11  1  0.816  0.004  0.642  1.0
  O  O12  1  0.212  0.103  0.758  1.0
  O  O13  1  0.424  0.117  0.367  1.0
  O  O14  1  0.077  0.582  0.428  1.0
  O  O15  1  0.822  0.336  0.173  1.0
  O  O16  1  0.914  0.428  0.582  1.0
  O  O17  1  0.147  0.038  0.323  1.0
  O  O18  1  0.246  0.434  0.712  1.0
  O  O19  1  0.492  0.323  0.038  1.0
  O  O20  1  0.927  0.758  0.103  1.0
  O  O21  1  0.133  0.826  0.158  1.0
  O  O22  1  0.092  0.367  0.117  1.0
  O  O23  1  0.883  0.158  0.826  1.0
  O  O24  1  0.858  0.594  0.935  1.0
  O  O25  1  0.656  0.392  0.637  1.0
  O  O26  1  0.538  0.642  0.004  1.0
  O  O27  1  0.613  0.935  0.594  1.0
[/CIF]
.