The crystal structure described by CoPO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form CoO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), and two equivalent O(5) atoms. 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 three equivalent Co(1)O5 trigonal bipyramids. 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)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 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   11.100
_cell_length_b   5.807
_cell_length_c   9.870
_cell_angle_alpha   85.592
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.288
_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  0.094  0.869  0.751  1.0
  Co  Co1  1  0.406  0.869  0.251  1.0
  Co  Co2  1  0.623  0.653  0.002  1.0
  Co  Co3  1  0.877  0.653  0.502  1.0
  Co  Co4  1  0.123  0.347  0.498  1.0
  Co  Co5  1  0.377  0.347  0.998  1.0
  Co  Co6  1  0.594  0.131  0.749  1.0
  Co  Co7  1  0.906  0.131  0.249  1.0
  P  P8  1  0.357  0.887  0.929  1.0
  P  P9  1  0.143  0.887  0.429  1.0
  P  P10  1  0.621  0.630  0.686  1.0
  P  P11  1  0.879  0.630  0.186  1.0
  P  P12  1  0.121  0.370  0.814  1.0
  P  P13  1  0.379  0.370  0.314  1.0
  P  P14  1  0.857  0.113  0.571  1.0
  P  P15  1  0.643  0.113  0.071  1.0
  O  O16  1  0.175  0.945  0.576  1.0
  O  O17  1  0.931  0.895  0.628  1.0
  O  O18  1  0.325  0.945  0.076  1.0
  O  O19  1  0.569  0.895  0.128  1.0
  O  O20  1  0.251  0.848  0.840  1.0
  O  O21  1  0.543  0.851  0.680  1.0
  O  O22  1  0.249  0.848  0.340  1.0
  O  O23  1  0.957  0.851  0.180  1.0
  O  O24  1  0.439  0.664  0.937  1.0
  O  O25  1  0.676  0.589  0.832  1.0
  O  O26  1  0.061  0.664  0.437  1.0
  O  O27  1  0.040  0.586  0.831  1.0
  O  O28  1  0.719  0.647  0.580  1.0
  O  O29  1  0.824  0.589  0.332  1.0
  O  O30  1  0.460  0.586  0.331  1.0
  O  O31  1  0.781  0.647  0.080  1.0
  O  O32  1  0.219  0.353  0.920  1.0
  O  O33  1  0.540  0.414  0.669  1.0
  O  O34  1  0.176  0.411  0.668  1.0
  O  O35  1  0.281  0.353  0.420  1.0
  O  O36  1  0.960  0.414  0.169  1.0
  O  O37  1  0.939  0.336  0.563  1.0
  O  O38  1  0.324  0.411  0.168  1.0
  O  O39  1  0.561  0.336  0.063  1.0
  O  O40  1  0.043  0.149  0.820  1.0
  O  O41  1  0.751  0.152  0.660  1.0
  O  O42  1  0.457  0.149  0.320  1.0
  O  O43  1  0.749  0.152  0.160  1.0
  O  O44  1  0.431  0.105  0.872  1.0
  O  O45  1  0.675  0.055  0.924  1.0
  O  O46  1  0.069  0.105  0.372  1.0
  O  O47  1  0.825  0.055  0.424  1.0
[/CIF]
.
The crystal structure described by CoPO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form CoO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), and two equivalent O(5) atoms. 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 three equivalent Co(1)O5 trigonal bipyramids. 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)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 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   11.100
_cell_length_b   5.807
_cell_length_c   9.870
_cell_angle_alpha   85.592
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.288
_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  0.094  0.869  0.751  1.0
  Co  Co1  1  0.406  0.869  0.251  1.0
  Co  Co2  1  0.623  0.653  0.002  1.0
  Co  Co3  1  0.877  0.653  0.502  1.0
  Co  Co4  1  0.123  0.347  0.498  1.0
  Co  Co5  1  0.377  0.347  0.998  1.0
  Co  Co6  1  0.594  0.131  0.749  1.0
  Co  Co7  1  0.906  0.131  0.249  1.0
  P  P8  1  0.357  0.887  0.929  1.0
  P  P9  1  0.143  0.887  0.429  1.0
  P  P10  1  0.621  0.630  0.686  1.0
  P  P11  1  0.879  0.630  0.186  1.0
  P  P12  1  0.121  0.370  0.814  1.0
  P  P13  1  0.379  0.370  0.314  1.0
  P  P14  1  0.857  0.113  0.571  1.0
  P  P15  1  0.643  0.113  0.071  1.0
  O  O16  1  0.175  0.945  0.576  1.0
  O  O17  1  0.931  0.895  0.628  1.0
  O  O18  1  0.325  0.945  0.076  1.0
  O  O19  1  0.569  0.895  0.128  1.0
  O  O20  1  0.251  0.848  0.840  1.0
  O  O21  1  0.543  0.851  0.680  1.0
  O  O22  1  0.249  0.848  0.340  1.0
  O  O23  1  0.957  0.851  0.180  1.0
  O  O24  1  0.439  0.664  0.937  1.0
  O  O25  1  0.676  0.589  0.832  1.0
  O  O26  1  0.061  0.664  0.437  1.0
  O  O27  1  0.040  0.586  0.831  1.0
  O  O28  1  0.719  0.647  0.580  1.0
  O  O29  1  0.824  0.589  0.332  1.0
  O  O30  1  0.460  0.586  0.331  1.0
  O  O31  1  0.781  0.647  0.080  1.0
  O  O32  1  0.219  0.353  0.920  1.0
  O  O33  1  0.540  0.414  0.669  1.0
  O  O34  1  0.176  0.411  0.668  1.0
  O  O35  1  0.281  0.353  0.420  1.0
  O  O36  1  0.960  0.414  0.169  1.0
  O  O37  1  0.939  0.336  0.563  1.0
  O  O38  1  0.324  0.411  0.168  1.0
  O  O39  1  0.561  0.336  0.063  1.0
  O  O40  1  0.043  0.149  0.820  1.0
  O  O41  1  0.751  0.152  0.660  1.0
  O  O42  1  0.457  0.149  0.320  1.0
  O  O43  1  0.749  0.152  0.160  1.0
  O  O44  1  0.431  0.105  0.872  1.0
  O  O45  1  0.675  0.055  0.924  1.0
  O  O46  1  0.069  0.105  0.372  1.0
  O  O47  1  0.825  0.055  0.424  1.0
[/CIF]
.