The material structure described by VOPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(8) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(5), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1) atom. In the fourth O site, O(4) is bonded in a distorted 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(1) 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 bent 150 degrees geometry to one V(2) 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(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   7.274
_cell_length_c   7.291
_cell_angle_alpha   91.426
_cell_angle_beta   90.404
_cell_angle_gamma   116.444
_symmetry_Int_Tables_number   1
_cell_volume   332.112
_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  0.703  0.461  0.270  1.0
  V  V1  1  0.205  0.954  0.229  1.0
  V  V2  1  0.795  0.046  0.771  1.0
  V  V3  1  0.297  0.539  0.730  1.0
  P  P4  1  0.473  0.239  0.898  1.0
  P  P5  1  0.021  0.757  0.604  1.0
  P  P6  1  0.979  0.243  0.396  1.0
  P  P7  1  0.527  0.761  0.102  1.0
  O  O8  1  0.283  0.107  0.014  1.0
  O  O9  1  0.401  0.338  0.749  1.0
  O  O10  1  0.495  0.271  0.342  1.0
  O  O11  1  0.650  0.406  0.018  1.0
  O  O12  1  0.834  0.589  0.495  1.0
  O  O13  1  0.561  0.103  0.804  1.0
  O  O14  1  0.948  0.898  0.706  1.0
  O  O15  1  0.012  0.744  0.155  1.0
  O  O16  1  0.798  0.115  0.525  1.0
  O  O17  1  0.105  0.658  0.744  1.0
  O  O18  1  0.895  0.342  0.256  1.0
  O  O19  1  0.202  0.885  0.475  1.0
  O  O20  1  0.988  0.256  0.845  1.0
  O  O21  1  0.052  0.102  0.294  1.0
  O  O22  1  0.717  0.893  0.986  1.0
  O  O23  1  0.166  0.411  0.505  1.0
  O  O24  1  0.350  0.594  0.982  1.0
  O  O25  1  0.505  0.729  0.658  1.0
  O  O26  1  0.599  0.662  0.251  1.0
  O  O27  1  0.439  0.897  0.196  1.0
[/CIF]
.
The material structure described by VOPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(8) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(5), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1) atom. In the fourth O site, O(4) is bonded in a distorted 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(1) 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 bent 150 degrees geometry to one V(2) 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(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   7.274
_cell_length_c   7.291
_cell_angle_alpha   91.426
_cell_angle_beta   90.404
_cell_angle_gamma   116.444
_symmetry_Int_Tables_number   1
_cell_volume   332.112
_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  0.703  0.461  0.270  1.0
  V  V1  1  0.205  0.954  0.229  1.0
  V  V2  1  0.795  0.046  0.771  1.0
  V  V3  1  0.297  0.539  0.730  1.0
  P  P4  1  0.473  0.239  0.898  1.0
  P  P5  1  0.021  0.757  0.604  1.0
  P  P6  1  0.979  0.243  0.396  1.0
  P  P7  1  0.527  0.761  0.102  1.0
  O  O8  1  0.283  0.107  0.014  1.0
  O  O9  1  0.401  0.338  0.749  1.0
  O  O10  1  0.495  0.271  0.342  1.0
  O  O11  1  0.650  0.406  0.018  1.0
  O  O12  1  0.834  0.589  0.495  1.0
  O  O13  1  0.561  0.103  0.804  1.0
  O  O14  1  0.948  0.898  0.706  1.0
  O  O15  1  0.012  0.744  0.155  1.0
  O  O16  1  0.798  0.115  0.525  1.0
  O  O17  1  0.105  0.658  0.744  1.0
  O  O18  1  0.895  0.342  0.256  1.0
  O  O19  1  0.202  0.885  0.475  1.0
  O  O20  1  0.988  0.256  0.845  1.0
  O  O21  1  0.052  0.102  0.294  1.0
  O  O22  1  0.717  0.893  0.986  1.0
  O  O23  1  0.166  0.411  0.505  1.0
  O  O24  1  0.350  0.594  0.982  1.0
  O  O25  1  0.505  0.729  0.658  1.0
  O  O26  1  0.599  0.662  0.251  1.0
  O  O27  1  0.439  0.897  0.196  1.0
[/CIF]
.