The material structure described by Co2(PO4)F crystallizes in the monoclinic C2/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form distorted CoO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids, edges with two equivalent Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(4), and one F(1) atom to form distorted CoO4F trigonal bipyramids that share corners with two equivalent Co(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-71°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4F2 octahedra and corners with four equivalent Co(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-59°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one P(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. F(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2PO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   7.339
_cell_length_c   9.852
_cell_angle_alpha   63.979
_cell_angle_beta   63.979
_cell_angle_gamma   52.394
_symmetry_Int_Tables_number   1
_cell_volume   366.712
_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  0.557  0.754  0.643  1.0
  Co  Co1  1  0.443  0.246  0.357  1.0
  Co  Co2  1  0.246  0.443  0.857  1.0
  Co  Co3  1  0.754  0.557  0.143  1.0
  Co  Co4  1  0.721  0.167  0.002  1.0
  Co  Co5  1  0.279  0.833  0.998  1.0
  Co  Co6  1  0.833  0.279  0.498  1.0
  Co  Co7  1  0.167  0.721  0.502  1.0
  P  P8  1  0.728  0.918  0.808  1.0
  P  P9  1  0.272  0.082  0.192  1.0
  P  P10  1  0.082  0.272  0.692  1.0
  P  P11  1  0.918  0.728  0.308  1.0
  O  O12  1  0.583  0.151  0.863  1.0
  O  O13  1  0.417  0.849  0.137  1.0
  O  O14  1  0.849  0.417  0.637  1.0
  O  O15  1  0.151  0.583  0.363  1.0
  O  O16  1  0.282  0.108  0.579  1.0
  O  O17  1  0.718  0.892  0.421  1.0
  O  O18  1  0.892  0.718  0.921  1.0
  O  O19  1  0.108  0.282  0.079  1.0
  O  O20  1  0.559  0.857  0.808  1.0
  O  O21  1  0.441  0.143  0.192  1.0
  O  O22  1  0.143  0.441  0.692  1.0
  O  O23  1  0.857  0.559  0.308  1.0
  O  O24  1  0.880  0.957  0.640  1.0
  O  O25  1  0.120  0.043  0.360  1.0
  O  O26  1  0.043  0.120  0.860  1.0
  O  O27  1  0.957  0.880  0.140  1.0
  F  F28  1  0.409  0.618  0.608  1.0
  F  F29  1  0.591  0.382  0.392  1.0
  F  F30  1  0.382  0.591  0.892  1.0
  F  F31  1  0.618  0.409  0.108  1.0
[/CIF]
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The material structure described by Co2(PO4)F crystallizes in the monoclinic C2/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form distorted CoO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids, edges with two equivalent Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(4), and one F(1) atom to form distorted CoO4F trigonal bipyramids that share corners with two equivalent Co(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-71°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4F2 octahedra and corners with four equivalent Co(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-59°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one P(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. F(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2PO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   7.339
_cell_length_c   9.852
_cell_angle_alpha   63.979
_cell_angle_beta   63.979
_cell_angle_gamma   52.394
_symmetry_Int_Tables_number   1
_cell_volume   366.712
_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  0.557  0.754  0.643  1.0
  Co  Co1  1  0.443  0.246  0.357  1.0
  Co  Co2  1  0.246  0.443  0.857  1.0
  Co  Co3  1  0.754  0.557  0.143  1.0
  Co  Co4  1  0.721  0.167  0.002  1.0
  Co  Co5  1  0.279  0.833  0.998  1.0
  Co  Co6  1  0.833  0.279  0.498  1.0
  Co  Co7  1  0.167  0.721  0.502  1.0
  P  P8  1  0.728  0.918  0.808  1.0
  P  P9  1  0.272  0.082  0.192  1.0
  P  P10  1  0.082  0.272  0.692  1.0
  P  P11  1  0.918  0.728  0.308  1.0
  O  O12  1  0.583  0.151  0.863  1.0
  O  O13  1  0.417  0.849  0.137  1.0
  O  O14  1  0.849  0.417  0.637  1.0
  O  O15  1  0.151  0.583  0.363  1.0
  O  O16  1  0.282  0.108  0.579  1.0
  O  O17  1  0.718  0.892  0.421  1.0
  O  O18  1  0.892  0.718  0.921  1.0
  O  O19  1  0.108  0.282  0.079  1.0
  O  O20  1  0.559  0.857  0.808  1.0
  O  O21  1  0.441  0.143  0.192  1.0
  O  O22  1  0.143  0.441  0.692  1.0
  O  O23  1  0.857  0.559  0.308  1.0
  O  O24  1  0.880  0.957  0.640  1.0
  O  O25  1  0.120  0.043  0.360  1.0
  O  O26  1  0.043  0.120  0.860  1.0
  O  O27  1  0.957  0.880  0.140  1.0
  F  F28  1  0.409  0.618  0.608  1.0
  F  F29  1  0.591  0.382  0.392  1.0
  F  F30  1  0.382  0.591  0.892  1.0
  F  F31  1  0.618  0.409  0.108  1.0
[/CIF]
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