The material structure described by VOPO4 crystallizes in the monoclinic Cc space group. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) 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 bent 150 degrees geometry to one V(1) and one P(1) 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 single-bond geometry to one V(1) atom. is represented by the CIF card [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.183
_cell_length_c   7.510
_cell_angle_alpha   74.736
_cell_angle_beta   74.736
_cell_angle_gamma   97.112
_symmetry_Int_Tables_number   1
_cell_volume   183.670
_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  0.945  0.482  0.538  1.0
  V  V1  1  0.482  0.945  0.038  1.0
  P  P2  1  0.928  0.079  0.250  1.0
  P  P3  1  0.079  0.928  0.750  1.0
  O  O4  1  0.237  0.159  0.128  1.0
  O  O5  1  0.846  0.772  0.365  1.0
  O  O6  1  0.772  0.846  0.865  1.0
  O  O7  1  0.159  0.237  0.628  1.0
  O  O8  1  0.136  0.755  0.609  1.0
  O  O9  1  0.259  0.871  0.882  1.0
  O  O10  1  0.871  0.259  0.382  1.0
  O  O11  1  0.755  0.136  0.109  1.0
  O  O12  1  0.669  0.371  0.720  1.0
  O  O13  1  0.371  0.669  0.220  1.0
[/CIF]
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The material structure described by VOPO4 crystallizes in the monoclinic Cc space group. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) 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 bent 150 degrees geometry to one V(1) and one P(1) 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 single-bond geometry to one V(1) atom. is represented by the CIF card [CIF]
data_VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.183
_cell_length_c   7.510
_cell_angle_alpha   74.736
_cell_angle_beta   74.736
_cell_angle_gamma   97.112
_symmetry_Int_Tables_number   1
_cell_volume   183.670
_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  0.945  0.482  0.538  1.0
  V  V1  1  0.482  0.945  0.038  1.0
  P  P2  1  0.928  0.079  0.250  1.0
  P  P3  1  0.079  0.928  0.750  1.0
  O  O4  1  0.237  0.159  0.128  1.0
  O  O5  1  0.846  0.772  0.365  1.0
  O  O6  1  0.772  0.846  0.865  1.0
  O  O7  1  0.159  0.237  0.628  1.0
  O  O8  1  0.136  0.755  0.609  1.0
  O  O9  1  0.259  0.871  0.882  1.0
  O  O10  1  0.871  0.259  0.382  1.0
  O  O11  1  0.755  0.136  0.109  1.0
  O  O12  1  0.669  0.371  0.720  1.0
  O  O13  1  0.371  0.669  0.220  1.0
[/CIF]
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