The compound described by CoPO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 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 Crystallographic Information File (CIF) [CIF]
data_CoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   6.623
_cell_length_c   8.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.468
_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  0.000  0.500  0.000  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.463  0.250  0.176  1.0
  P  P5  1  0.963  0.750  0.324  1.0
  P  P6  1  0.037  0.250  0.676  1.0
  P  P7  1  0.537  0.750  0.824  1.0
  O  O8  1  0.768  0.250  0.114  1.0
  O  O9  1  0.311  0.442  0.120  1.0
  O  O10  1  0.311  0.058  0.120  1.0
  O  O11  1  0.937  0.750  0.144  1.0
  O  O12  1  0.437  0.250  0.356  1.0
  O  O13  1  0.811  0.558  0.380  1.0
  O  O14  1  0.811  0.942  0.380  1.0
  O  O15  1  0.268  0.750  0.386  1.0
  O  O16  1  0.732  0.250  0.614  1.0
  O  O17  1  0.189  0.058  0.620  1.0
  O  O18  1  0.189  0.442  0.620  1.0
  O  O19  1  0.563  0.750  0.644  1.0
  O  O20  1  0.063  0.250  0.856  1.0
  O  O21  1  0.689  0.942  0.880  1.0
  O  O22  1  0.689  0.558  0.880  1.0
  O  O23  1  0.232  0.750  0.886  1.0
[/CIF]
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The compound described by CoPO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 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 Crystallographic Information File (CIF) [CIF]
data_CoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   6.623
_cell_length_c   8.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.468
_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  0.000  0.500  0.000  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.463  0.250  0.176  1.0
  P  P5  1  0.963  0.750  0.324  1.0
  P  P6  1  0.037  0.250  0.676  1.0
  P  P7  1  0.537  0.750  0.824  1.0
  O  O8  1  0.768  0.250  0.114  1.0
  O  O9  1  0.311  0.442  0.120  1.0
  O  O10  1  0.311  0.058  0.120  1.0
  O  O11  1  0.937  0.750  0.144  1.0
  O  O12  1  0.437  0.250  0.356  1.0
  O  O13  1  0.811  0.558  0.380  1.0
  O  O14  1  0.811  0.942  0.380  1.0
  O  O15  1  0.268  0.750  0.386  1.0
  O  O16  1  0.732  0.250  0.614  1.0
  O  O17  1  0.189  0.058  0.620  1.0
  O  O18  1  0.189  0.442  0.620  1.0
  O  O19  1  0.563  0.750  0.644  1.0
  O  O20  1  0.063  0.250  0.856  1.0
  O  O21  1  0.689  0.942  0.880  1.0
  O  O22  1  0.689  0.558  0.880  1.0
  O  O23  1  0.232  0.750  0.886  1.0
[/CIF]
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