The compound described by VOPO4 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(18), one O(2), one O(20), and one O(8) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(18), one O(3), one O(4), and one O(5) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(6), one O(7), and one O(8) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(19), one O(3), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(14), one O(16), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(2), one O(5), and one O(7) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(19), one O(4), and one O(6) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(12), one O(15), one O(17), and one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(4) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) 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(3) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(4) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one V(3) and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one V(1) and one V(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one V(4) and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.017
_cell_length_b   10.410
_cell_length_c   7.330
_cell_angle_alpha   66.210
_cell_angle_beta   69.961
_cell_angle_gamma   76.085
_symmetry_Int_Tables_number   1
_cell_volume   326.718
_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  0.987  0.526  0.010  1.0
  V  V1  1  0.007  0.760  0.274  1.0
  V  V2  1  0.461  0.260  0.774  1.0
  V  V3  1  0.977  0.026  0.510  1.0
  P  P4  1  0.617  0.056  0.186  1.0
  P  P5  1  0.358  0.441  0.312  1.0
  P  P6  1  0.389  0.941  0.812  1.0
  P  P7  1  0.643  0.555  0.687  1.0
  O  O8  1  0.293  0.066  0.275  1.0
  O  O9  1  0.165  0.408  0.218  1.0
  O  O10  1  0.079  0.824  0.414  1.0
  O  O11  1  0.296  0.827  0.022  1.0
  O  O12  1  0.251  0.586  0.333  1.0
  O  O13  1  0.330  0.086  0.833  1.0
  O  O14  1  0.356  0.327  0.522  1.0
  O  O15  1  0.185  0.324  0.914  1.0
  O  O16  1  0.749  0.084  0.322  1.0
  O  O17  1  0.234  0.936  0.668  1.0
  O  O18  1  0.661  0.436  0.167  1.0
  O  O19  1  0.346  0.583  0.824  1.0
  O  O20  1  0.872  0.165  0.571  1.0
  O  O21  1  0.680  0.165  0.967  1.0
  O  O22  1  0.681  0.409  0.669  1.0
  O  O23  1  0.743  0.909  0.169  1.0
  O  O24  1  0.689  0.665  0.467  1.0
  O  O25  1  0.893  0.665  0.071  1.0
  O  O26  1  0.710  0.908  0.716  1.0
  O  O27  1  0.868  0.566  0.774  1.0
[/CIF]
.
The compound described by VOPO4 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(18), one O(2), one O(20), and one O(8) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(18), one O(3), one O(4), and one O(5) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(6), one O(7), and one O(8) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(19), one O(3), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(14), one O(16), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(2), one O(5), and one O(7) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(19), one O(4), and one O(6) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(12), one O(15), one O(17), and one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(4) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) 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(3) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(4) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one V(3) and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one V(1) and one V(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one V(4) and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.017
_cell_length_b   10.410
_cell_length_c   7.330
_cell_angle_alpha   66.210
_cell_angle_beta   69.961
_cell_angle_gamma   76.085
_symmetry_Int_Tables_number   1
_cell_volume   326.718
_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  0.987  0.526  0.010  1.0
  V  V1  1  0.007  0.760  0.274  1.0
  V  V2  1  0.461  0.260  0.774  1.0
  V  V3  1  0.977  0.026  0.510  1.0
  P  P4  1  0.617  0.056  0.186  1.0
  P  P5  1  0.358  0.441  0.312  1.0
  P  P6  1  0.389  0.941  0.812  1.0
  P  P7  1  0.643  0.555  0.687  1.0
  O  O8  1  0.293  0.066  0.275  1.0
  O  O9  1  0.165  0.408  0.218  1.0
  O  O10  1  0.079  0.824  0.414  1.0
  O  O11  1  0.296  0.827  0.022  1.0
  O  O12  1  0.251  0.586  0.333  1.0
  O  O13  1  0.330  0.086  0.833  1.0
  O  O14  1  0.356  0.327  0.522  1.0
  O  O15  1  0.185  0.324  0.914  1.0
  O  O16  1  0.749  0.084  0.322  1.0
  O  O17  1  0.234  0.936  0.668  1.0
  O  O18  1  0.661  0.436  0.167  1.0
  O  O19  1  0.346  0.583  0.824  1.0
  O  O20  1  0.872  0.165  0.571  1.0
  O  O21  1  0.680  0.165  0.967  1.0
  O  O22  1  0.681  0.409  0.669  1.0
  O  O23  1  0.743  0.909  0.169  1.0
  O  O24  1  0.689  0.665  0.467  1.0
  O  O25  1  0.893  0.665  0.071  1.0
  O  O26  1  0.710  0.908  0.716  1.0
  O  O27  1  0.868  0.566  0.774  1.0
[/CIF]
.