The material described by CoPO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(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 50°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.767
_cell_length_b   5.822
_cell_length_c   9.958
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.405
_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
  Co  Co0  1  0.444  0.750  0.219  1.0
  Co  Co1  1  0.944  0.250  0.281  1.0
  Co  Co2  1  0.056  0.750  0.719  1.0
  Co  Co3  1  0.556  0.250  0.781  1.0
  P  P4  1  0.413  0.250  0.095  1.0
  P  P5  1  0.913  0.750  0.405  1.0
  P  P6  1  0.087  0.250  0.595  1.0
  P  P7  1  0.587  0.750  0.905  1.0
  O  O8  1  0.665  0.750  0.054  1.0
  O  O9  1  0.731  0.250  0.115  1.0
  O  O10  1  0.265  0.044  0.171  1.0
  O  O11  1  0.265  0.456  0.171  1.0
  O  O12  1  0.765  0.544  0.329  1.0
  O  O13  1  0.765  0.956  0.329  1.0
  O  O14  1  0.231  0.750  0.385  1.0
  O  O15  1  0.165  0.250  0.446  1.0
  O  O16  1  0.835  0.750  0.554  1.0
  O  O17  1  0.769  0.250  0.615  1.0
  O  O18  1  0.235  0.044  0.671  1.0
  O  O19  1  0.235  0.456  0.671  1.0
  O  O20  1  0.735  0.544  0.829  1.0
  O  O21  1  0.735  0.956  0.829  1.0
  O  O22  1  0.269  0.750  0.885  1.0
  O  O23  1  0.335  0.250  0.946  1.0
[/CIF]
.
The material described by CoPO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(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 50°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.767
_cell_length_b   5.822
_cell_length_c   9.958
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.405
_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
  Co  Co0  1  0.444  0.750  0.219  1.0
  Co  Co1  1  0.944  0.250  0.281  1.0
  Co  Co2  1  0.056  0.750  0.719  1.0
  Co  Co3  1  0.556  0.250  0.781  1.0
  P  P4  1  0.413  0.250  0.095  1.0
  P  P5  1  0.913  0.750  0.405  1.0
  P  P6  1  0.087  0.250  0.595  1.0
  P  P7  1  0.587  0.750  0.905  1.0
  O  O8  1  0.665  0.750  0.054  1.0
  O  O9  1  0.731  0.250  0.115  1.0
  O  O10  1  0.265  0.044  0.171  1.0
  O  O11  1  0.265  0.456  0.171  1.0
  O  O12  1  0.765  0.544  0.329  1.0
  O  O13  1  0.765  0.956  0.329  1.0
  O  O14  1  0.231  0.750  0.385  1.0
  O  O15  1  0.165  0.250  0.446  1.0
  O  O16  1  0.835  0.750  0.554  1.0
  O  O17  1  0.769  0.250  0.615  1.0
  O  O18  1  0.235  0.044  0.671  1.0
  O  O19  1  0.235  0.456  0.671  1.0
  O  O20  1  0.735  0.544  0.829  1.0
  O  O21  1  0.735  0.956  0.829  1.0
  O  O22  1  0.269  0.750  0.885  1.0
  O  O23  1  0.335  0.250  0.946  1.0
[/CIF]
.