The crystal structure described by CuPO4 crystallizes in the orthorhombic Fdd2 space group. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.236
_cell_length_b   6.074
_cell_length_c   5.511
_cell_angle_alpha   77.137
_cell_angle_beta   54.914
_cell_angle_gamma   47.949
_symmetry_Int_Tables_number   1
_cell_volume   141.819
_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
  Cu  Cu0  1  0.026  0.474  0.026  1.0
  Cu  Cu1  1  0.776  0.224  0.776  1.0
  P  P2  1  0.389  0.111  0.389  1.0
  P  P3  1  0.139  0.861  0.139  1.0
  O  O4  1  0.004  0.178  0.061  1.0
  O  O5  1  0.604  0.760  0.356  1.0
  O  O6  1  0.356  0.280  0.604  1.0
  O  O7  1  0.970  0.894  0.490  1.0
  O  O8  1  0.490  0.646  0.970  1.0
  O  O9  1  0.072  0.246  0.493  1.0
  O  O10  1  0.061  0.757  0.004  1.0
  O  O11  1  0.493  0.189  0.072  1.0
[/CIF]
.
The crystal structure described by CuPO4 crystallizes in the orthorhombic Fdd2 space group. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.236
_cell_length_b   6.074
_cell_length_c   5.511
_cell_angle_alpha   77.137
_cell_angle_beta   54.914
_cell_angle_gamma   47.949
_symmetry_Int_Tables_number   1
_cell_volume   141.819
_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
  Cu  Cu0  1  0.026  0.474  0.026  1.0
  Cu  Cu1  1  0.776  0.224  0.776  1.0
  P  P2  1  0.389  0.111  0.389  1.0
  P  P3  1  0.139  0.861  0.139  1.0
  O  O4  1  0.004  0.178  0.061  1.0
  O  O5  1  0.604  0.760  0.356  1.0
  O  O6  1  0.356  0.280  0.604  1.0
  O  O7  1  0.970  0.894  0.490  1.0
  O  O8  1  0.490  0.646  0.970  1.0
  O  O9  1  0.072  0.246  0.493  1.0
  O  O10  1  0.061  0.757  0.004  1.0
  O  O11  1  0.493  0.189  0.072  1.0
[/CIF]
.