The material described by VPO4 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are three 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 trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   5.930
_cell_length_c   10.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.479
_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  0.515  0.750  0.268  1.0
  V  V1  1  0.985  0.750  0.768  1.0
  V  V2  1  0.485  0.250  0.732  1.0
  V  V3  1  0.015  0.250  0.232  1.0
  P  P4  1  0.081  0.750  0.097  1.0
  P  P5  1  0.419  0.750  0.597  1.0
  P  P6  1  0.919  0.250  0.903  1.0
  P  P7  1  0.581  0.250  0.403  1.0
  O  O8  1  0.221  0.250  0.878  1.0
  O  O9  1  0.728  0.452  0.329  1.0
  O  O10  1  0.228  0.548  0.171  1.0
  O  O11  1  0.272  0.952  0.671  1.0
  O  O12  1  0.772  0.048  0.829  1.0
  O  O13  1  0.272  0.548  0.671  1.0
  O  O14  1  0.772  0.452  0.829  1.0
  O  O15  1  0.728  0.048  0.329  1.0
  O  O16  1  0.779  0.750  0.122  1.0
  O  O17  1  0.279  0.250  0.378  1.0
  O  O18  1  0.228  0.952  0.171  1.0
  O  O19  1  0.721  0.750  0.622  1.0
  O  O20  1  0.145  0.750  0.948  1.0
  O  O21  1  0.855  0.250  0.052  1.0
  O  O22  1  0.645  0.250  0.552  1.0
  O  O23  1  0.355  0.750  0.448  1.0
[/CIF]
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The material described by VPO4 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are three 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 trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   5.930
_cell_length_c   10.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.479
_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  0.515  0.750  0.268  1.0
  V  V1  1  0.985  0.750  0.768  1.0
  V  V2  1  0.485  0.250  0.732  1.0
  V  V3  1  0.015  0.250  0.232  1.0
  P  P4  1  0.081  0.750  0.097  1.0
  P  P5  1  0.419  0.750  0.597  1.0
  P  P6  1  0.919  0.250  0.903  1.0
  P  P7  1  0.581  0.250  0.403  1.0
  O  O8  1  0.221  0.250  0.878  1.0
  O  O9  1  0.728  0.452  0.329  1.0
  O  O10  1  0.228  0.548  0.171  1.0
  O  O11  1  0.272  0.952  0.671  1.0
  O  O12  1  0.772  0.048  0.829  1.0
  O  O13  1  0.272  0.548  0.671  1.0
  O  O14  1  0.772  0.452  0.829  1.0
  O  O15  1  0.728  0.048  0.329  1.0
  O  O16  1  0.779  0.750  0.122  1.0
  O  O17  1  0.279  0.250  0.378  1.0
  O  O18  1  0.228  0.952  0.171  1.0
  O  O19  1  0.721  0.750  0.622  1.0
  O  O20  1  0.145  0.750  0.948  1.0
  O  O21  1  0.855  0.250  0.052  1.0
  O  O22  1  0.645  0.250  0.552  1.0
  O  O23  1  0.355  0.750  0.448  1.0
[/CIF]
.