The compound described by CoPO4 crystallizes in the monoclinic Pc 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(8) atom to form CoO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and one O(7) 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(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O4 tetrahedra and  an edgeedge with one Co(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) 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 120 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one 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   5.294
_cell_length_b   7.802
_cell_length_c   8.777
_cell_angle_alpha   77.018
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.267
_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  0.871  0.030  0.066  1.0
  Co  Co1  1  0.311  0.514  0.272  1.0
  Co  Co2  1  0.129  0.030  0.566  1.0
  Co  Co3  1  0.689  0.514  0.772  1.0
  P  P4  1  0.673  0.748  0.028  1.0
  P  P5  1  0.810  0.260  0.314  1.0
  P  P6  1  0.327  0.748  0.528  1.0
  P  P7  1  0.190  0.260  0.814  1.0
  O  O8  1  0.164  0.115  0.968  1.0
  O  O9  1  0.412  0.678  0.098  1.0
  O  O10  1  0.725  0.173  0.180  1.0
  O  O11  1  0.860  0.779  0.157  1.0
  O  O12  1  0.075  0.343  0.272  1.0
  O  O13  1  0.618  0.395  0.341  1.0
  O  O14  1  0.836  0.115  0.468  1.0
  O  O15  1  0.217  0.621  0.435  1.0
  O  O16  1  0.350  0.940  0.426  1.0
  O  O17  1  0.588  0.678  0.598  1.0
  O  O18  1  0.275  0.173  0.680  1.0
  O  O19  1  0.140  0.779  0.657  1.0
  O  O20  1  0.925  0.343  0.772  1.0
  O  O21  1  0.382  0.395  0.841  1.0
  O  O22  1  0.783  0.621  0.935  1.0
  O  O23  1  0.650  0.940  0.926  1.0
[/CIF]
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The compound described by CoPO4 crystallizes in the monoclinic Pc 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(8) atom to form CoO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and one O(7) 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(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O4 tetrahedra and  an edgeedge with one Co(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) 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 120 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one 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   5.294
_cell_length_b   7.802
_cell_length_c   8.777
_cell_angle_alpha   77.018
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.267
_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  0.871  0.030  0.066  1.0
  Co  Co1  1  0.311  0.514  0.272  1.0
  Co  Co2  1  0.129  0.030  0.566  1.0
  Co  Co3  1  0.689  0.514  0.772  1.0
  P  P4  1  0.673  0.748  0.028  1.0
  P  P5  1  0.810  0.260  0.314  1.0
  P  P6  1  0.327  0.748  0.528  1.0
  P  P7  1  0.190  0.260  0.814  1.0
  O  O8  1  0.164  0.115  0.968  1.0
  O  O9  1  0.412  0.678  0.098  1.0
  O  O10  1  0.725  0.173  0.180  1.0
  O  O11  1  0.860  0.779  0.157  1.0
  O  O12  1  0.075  0.343  0.272  1.0
  O  O13  1  0.618  0.395  0.341  1.0
  O  O14  1  0.836  0.115  0.468  1.0
  O  O15  1  0.217  0.621  0.435  1.0
  O  O16  1  0.350  0.940  0.426  1.0
  O  O17  1  0.588  0.678  0.598  1.0
  O  O18  1  0.275  0.173  0.680  1.0
  O  O19  1  0.140  0.779  0.657  1.0
  O  O20  1  0.925  0.343  0.772  1.0
  O  O21  1  0.382  0.395  0.841  1.0
  O  O22  1  0.783  0.621  0.935  1.0
  O  O23  1  0.650  0.940  0.926  1.0
[/CIF]
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