The material structure described by CoPO4 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 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(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(2) atom. is represented by the CIF file [CIF]
data_CoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   10.387
_cell_length_c   13.712
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.602
_cell_formula_units_Z   8
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  0.069  0.040  0.248  1.0
  Co  Co1  1  0.553  0.222  1.000  1.0
  Co  Co2  1  0.553  0.278  0.500  1.0
  Co  Co3  1  0.069  0.460  0.748  1.0
  Co  Co4  1  0.931  0.540  0.248  1.0
  Co  Co5  1  0.447  0.722  1.000  1.0
  Co  Co6  1  0.447  0.778  0.500  1.0
  Co  Co7  1  0.931  0.960  0.748  1.0
  P  P8  1  0.430  0.028  0.624  1.0
  P  P9  1  0.050  0.213  0.872  1.0
  P  P10  1  0.050  0.287  0.372  1.0
  P  P11  1  0.430  0.472  0.124  1.0
  P  P12  1  0.570  0.528  0.624  1.0
  P  P13  1  0.950  0.713  0.872  1.0
  P  P14  1  0.950  0.787  0.372  1.0
  P  P15  1  0.570  0.972  0.124  1.0
  O  O16  1  0.859  0.997  0.144  1.0
  O  O17  1  0.495  0.049  0.031  1.0
  O  O18  1  0.412  0.015  0.214  1.0
  O  O19  1  0.006  0.068  0.852  1.0
  O  O20  1  0.470  0.173  0.605  1.0
  O  O21  1  0.973  0.208  0.281  1.0
  O  O22  1  0.891  0.251  0.464  1.0
  O  O23  1  0.335  0.244  0.894  1.0
  O  O24  1  0.335  0.256  0.394  1.0
  O  O25  1  0.891  0.249  0.964  1.0
  O  O26  1  0.973  0.292  0.781  1.0
  O  O27  1  0.470  0.327  0.105  1.0
  O  O28  1  0.006  0.432  0.352  1.0
  O  O29  1  0.412  0.485  0.714  1.0
  O  O30  1  0.495  0.451  0.531  1.0
  O  O31  1  0.859  0.503  0.644  1.0
  O  O32  1  0.141  0.497  0.144  1.0
  O  O33  1  0.505  0.549  0.031  1.0
  O  O34  1  0.588  0.515  0.214  1.0
  O  O35  1  0.994  0.568  0.852  1.0
  O  O36  1  0.530  0.673  0.605  1.0
  O  O37  1  0.027  0.708  0.281  1.0
  O  O38  1  0.109  0.751  0.464  1.0
  O  O39  1  0.665  0.744  0.894  1.0
  O  O40  1  0.665  0.756  0.394  1.0
  O  O41  1  0.109  0.749  0.964  1.0
  O  O42  1  0.027  0.792  0.781  1.0
  O  O43  1  0.530  0.827  0.105  1.0
  O  O44  1  0.994  0.932  0.352  1.0
  O  O45  1  0.588  0.985  0.714  1.0
  O  O46  1  0.505  0.951  0.531  1.0
  O  O47  1  0.141  0.003  0.644  1.0
[/CIF]
.
The material structure described by CoPO4 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 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(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(2) atom. is represented by the CIF file [CIF]
data_CoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   10.387
_cell_length_c   13.712
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.602
_cell_formula_units_Z   8
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  0.069  0.040  0.248  1.0
  Co  Co1  1  0.553  0.222  1.000  1.0
  Co  Co2  1  0.553  0.278  0.500  1.0
  Co  Co3  1  0.069  0.460  0.748  1.0
  Co  Co4  1  0.931  0.540  0.248  1.0
  Co  Co5  1  0.447  0.722  1.000  1.0
  Co  Co6  1  0.447  0.778  0.500  1.0
  Co  Co7  1  0.931  0.960  0.748  1.0
  P  P8  1  0.430  0.028  0.624  1.0
  P  P9  1  0.050  0.213  0.872  1.0
  P  P10  1  0.050  0.287  0.372  1.0
  P  P11  1  0.430  0.472  0.124  1.0
  P  P12  1  0.570  0.528  0.624  1.0
  P  P13  1  0.950  0.713  0.872  1.0
  P  P14  1  0.950  0.787  0.372  1.0
  P  P15  1  0.570  0.972  0.124  1.0
  O  O16  1  0.859  0.997  0.144  1.0
  O  O17  1  0.495  0.049  0.031  1.0
  O  O18  1  0.412  0.015  0.214  1.0
  O  O19  1  0.006  0.068  0.852  1.0
  O  O20  1  0.470  0.173  0.605  1.0
  O  O21  1  0.973  0.208  0.281  1.0
  O  O22  1  0.891  0.251  0.464  1.0
  O  O23  1  0.335  0.244  0.894  1.0
  O  O24  1  0.335  0.256  0.394  1.0
  O  O25  1  0.891  0.249  0.964  1.0
  O  O26  1  0.973  0.292  0.781  1.0
  O  O27  1  0.470  0.327  0.105  1.0
  O  O28  1  0.006  0.432  0.352  1.0
  O  O29  1  0.412  0.485  0.714  1.0
  O  O30  1  0.495  0.451  0.531  1.0
  O  O31  1  0.859  0.503  0.644  1.0
  O  O32  1  0.141  0.497  0.144  1.0
  O  O33  1  0.505  0.549  0.031  1.0
  O  O34  1  0.588  0.515  0.214  1.0
  O  O35  1  0.994  0.568  0.852  1.0
  O  O36  1  0.530  0.673  0.605  1.0
  O  O37  1  0.027  0.708  0.281  1.0
  O  O38  1  0.109  0.751  0.464  1.0
  O  O39  1  0.665  0.744  0.894  1.0
  O  O40  1  0.665  0.756  0.394  1.0
  O  O41  1  0.109  0.749  0.964  1.0
  O  O42  1  0.027  0.792  0.781  1.0
  O  O43  1  0.530  0.827  0.105  1.0
  O  O44  1  0.994  0.932  0.352  1.0
  O  O45  1  0.588  0.985  0.714  1.0
  O  O46  1  0.505  0.951  0.531  1.0
  O  O47  1  0.141  0.003  0.644  1.0
[/CIF]
.