The structure described by Cu2PO4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. F(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Cu2PO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.178
_cell_length_b   7.178
_cell_length_c   10.142
_cell_angle_alpha   63.901
_cell_angle_beta   63.901
_cell_angle_gamma   51.697
_symmetry_Int_Tables_number   1
_cell_volume   357.725
_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
  Cu  Cu0  1  0.804  0.318  0.998  1.0
  Cu  Cu1  1  0.682  0.196  0.502  1.0
  Cu  Cu2  1  0.196  0.682  0.002  1.0
  Cu  Cu3  1  0.318  0.804  0.498  1.0
  Cu  Cu4  1  0.962  0.732  0.349  1.0
  Cu  Cu5  1  0.268  0.038  0.151  1.0
  Cu  Cu6  1  0.038  0.268  0.651  1.0
  Cu  Cu7  1  0.732  0.962  0.849  1.0
  P  P8  1  0.779  0.565  0.198  1.0
  P  P9  1  0.435  0.221  0.302  1.0
  P  P10  1  0.221  0.435  0.802  1.0
  P  P11  1  0.565  0.779  0.698  1.0
  O  O12  1  0.229  0.401  0.404  1.0
  O  O13  1  0.599  0.771  0.096  1.0
  O  O14  1  0.771  0.599  0.596  1.0
  O  O15  1  0.401  0.229  0.904  1.0
  O  O16  1  0.051  0.361  0.810  1.0
  O  O17  1  0.639  0.949  0.690  1.0
  O  O18  1  0.949  0.639  0.190  1.0
  O  O19  1  0.361  0.051  0.310  1.0
  O  O20  1  0.354  0.493  0.636  1.0
  O  O21  1  0.507  0.646  0.864  1.0
  O  O22  1  0.646  0.507  0.364  1.0
  O  O23  1  0.493  0.354  0.136  1.0
  O  O24  1  0.061  0.665  0.868  1.0
  O  O25  1  0.335  0.939  0.632  1.0
  O  O26  1  0.939  0.335  0.132  1.0
  O  O27  1  0.665  0.061  0.368  1.0
  F  F28  1  0.905  0.143  0.598  1.0
  F  F29  1  0.857  0.095  0.902  1.0
  F  F30  1  0.095  0.857  0.402  1.0
  F  F31  1  0.143  0.905  0.098  1.0
[/CIF]
.
The structure described by Cu2PO4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. F(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Cu2PO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.178
_cell_length_b   7.178
_cell_length_c   10.142
_cell_angle_alpha   63.901
_cell_angle_beta   63.901
_cell_angle_gamma   51.697
_symmetry_Int_Tables_number   1
_cell_volume   357.725
_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
  Cu  Cu0  1  0.804  0.318  0.998  1.0
  Cu  Cu1  1  0.682  0.196  0.502  1.0
  Cu  Cu2  1  0.196  0.682  0.002  1.0
  Cu  Cu3  1  0.318  0.804  0.498  1.0
  Cu  Cu4  1  0.962  0.732  0.349  1.0
  Cu  Cu5  1  0.268  0.038  0.151  1.0
  Cu  Cu6  1  0.038  0.268  0.651  1.0
  Cu  Cu7  1  0.732  0.962  0.849  1.0
  P  P8  1  0.779  0.565  0.198  1.0
  P  P9  1  0.435  0.221  0.302  1.0
  P  P10  1  0.221  0.435  0.802  1.0
  P  P11  1  0.565  0.779  0.698  1.0
  O  O12  1  0.229  0.401  0.404  1.0
  O  O13  1  0.599  0.771  0.096  1.0
  O  O14  1  0.771  0.599  0.596  1.0
  O  O15  1  0.401  0.229  0.904  1.0
  O  O16  1  0.051  0.361  0.810  1.0
  O  O17  1  0.639  0.949  0.690  1.0
  O  O18  1  0.949  0.639  0.190  1.0
  O  O19  1  0.361  0.051  0.310  1.0
  O  O20  1  0.354  0.493  0.636  1.0
  O  O21  1  0.507  0.646  0.864  1.0
  O  O22  1  0.646  0.507  0.364  1.0
  O  O23  1  0.493  0.354  0.136  1.0
  O  O24  1  0.061  0.665  0.868  1.0
  O  O25  1  0.335  0.939  0.632  1.0
  O  O26  1  0.939  0.335  0.132  1.0
  O  O27  1  0.665  0.061  0.368  1.0
  F  F28  1  0.905  0.143  0.598  1.0
  F  F29  1  0.857  0.095  0.902  1.0
  F  F30  1  0.095  0.857  0.402  1.0
  F  F31  1  0.143  0.905  0.098  1.0
[/CIF]
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