The compound described by (Bi5(PO4)3)2F2 crystallizes in the hexagonal P6_3 space group. The structure consists of two hydrofluoric acid atoms inside a Bi5(PO4)3 framework. In the Bi5(PO4)3 framework, there are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one Bi(2) and three equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Bi(1) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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(4) is bonded in a distorted bent 150 degrees geometry to one Bi(3) and one P(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Bi(1), one Bi(3), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(1) atom. is represented by the CIF file [CIF]
data_Bi5P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.328
_cell_length_b   10.328
_cell_length_c   7.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   660.948
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.333  0.667  0.393  1.0
  Bi  Bi1  1  0.667  0.333  0.893  1.0
  Bi  Bi2  1  0.333  0.667  0.790  1.0
  Bi  Bi3  1  0.667  0.333  0.290  1.0
  Bi  Bi4  1  0.263  0.289  0.575  1.0
  Bi  Bi5  1  0.711  0.974  0.575  1.0
  Bi  Bi6  1  0.737  0.711  0.075  1.0
  Bi  Bi7  1  0.026  0.737  0.575  1.0
  Bi  Bi8  1  0.289  0.026  0.075  1.0
  Bi  Bi9  1  0.974  0.263  0.075  1.0
  P  P10  1  0.388  0.051  0.586  1.0
  P  P11  1  0.949  0.337  0.586  1.0
  P  P12  1  0.612  0.949  0.086  1.0
  P  P13  1  0.663  0.612  0.586  1.0
  P  P14  1  0.051  0.663  0.086  1.0
  P  P15  1  0.337  0.388  0.086  1.0
  O  O16  1  0.119  0.401  0.579  1.0
  O  O17  1  0.599  0.718  0.579  1.0
  O  O18  1  0.881  0.599  0.079  1.0
  O  O19  1  0.282  0.881  0.579  1.0
  O  O20  1  0.401  0.282  0.079  1.0
  O  O21  1  0.718  0.119  0.079  1.0
  O  O22  1  0.346  0.115  0.762  1.0
  O  O23  1  0.885  0.231  0.762  1.0
  O  O24  1  0.654  0.885  0.262  1.0
  O  O25  1  0.769  0.654  0.762  1.0
  O  O26  1  0.115  0.769  0.262  1.0
  O  O27  1  0.231  0.346  0.262  1.0
  O  O28  1  0.232  0.359  0.913  1.0
  O  O29  1  0.641  0.873  0.913  1.0
  O  O30  1  0.768  0.641  0.413  1.0
  O  O31  1  0.127  0.768  0.913  1.0
  O  O32  1  0.359  0.127  0.413  1.0
  O  O33  1  0.873  0.232  0.413  1.0
  O  O34  1  0.552  0.086  0.595  1.0
  O  O35  1  0.914  0.466  0.595  1.0
  O  O36  1  0.448  0.914  0.095  1.0
  O  O37  1  0.534  0.448  0.595  1.0
  O  O38  1  0.086  0.534  0.095  1.0
  O  O39  1  0.466  0.552  0.095  1.0
  F  F40  1  0.000  0.000  0.544  1.0
  F  F41  1  0.000  0.000  0.044  1.0
[/CIF]
.
The compound described by (Bi5(PO4)3)2F2 crystallizes in the hexagonal P6_3 space group. The structure consists of two hydrofluoric acid atoms inside a Bi5(PO4)3 framework. In the Bi5(PO4)3 framework, there are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one Bi(2) and three equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Bi(1) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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(4) is bonded in a distorted bent 150 degrees geometry to one Bi(3) and one P(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Bi(1), one Bi(3), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(1) atom. is represented by the CIF file [CIF]
data_Bi5P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.328
_cell_length_b   10.328
_cell_length_c   7.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   660.948
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.333  0.667  0.393  1.0
  Bi  Bi1  1  0.667  0.333  0.893  1.0
  Bi  Bi2  1  0.333  0.667  0.790  1.0
  Bi  Bi3  1  0.667  0.333  0.290  1.0
  Bi  Bi4  1  0.263  0.289  0.575  1.0
  Bi  Bi5  1  0.711  0.974  0.575  1.0
  Bi  Bi6  1  0.737  0.711  0.075  1.0
  Bi  Bi7  1  0.026  0.737  0.575  1.0
  Bi  Bi8  1  0.289  0.026  0.075  1.0
  Bi  Bi9  1  0.974  0.263  0.075  1.0
  P  P10  1  0.388  0.051  0.586  1.0
  P  P11  1  0.949  0.337  0.586  1.0
  P  P12  1  0.612  0.949  0.086  1.0
  P  P13  1  0.663  0.612  0.586  1.0
  P  P14  1  0.051  0.663  0.086  1.0
  P  P15  1  0.337  0.388  0.086  1.0
  O  O16  1  0.119  0.401  0.579  1.0
  O  O17  1  0.599  0.718  0.579  1.0
  O  O18  1  0.881  0.599  0.079  1.0
  O  O19  1  0.282  0.881  0.579  1.0
  O  O20  1  0.401  0.282  0.079  1.0
  O  O21  1  0.718  0.119  0.079  1.0
  O  O22  1  0.346  0.115  0.762  1.0
  O  O23  1  0.885  0.231  0.762  1.0
  O  O24  1  0.654  0.885  0.262  1.0
  O  O25  1  0.769  0.654  0.762  1.0
  O  O26  1  0.115  0.769  0.262  1.0
  O  O27  1  0.231  0.346  0.262  1.0
  O  O28  1  0.232  0.359  0.913  1.0
  O  O29  1  0.641  0.873  0.913  1.0
  O  O30  1  0.768  0.641  0.413  1.0
  O  O31  1  0.127  0.768  0.913  1.0
  O  O32  1  0.359  0.127  0.413  1.0
  O  O33  1  0.873  0.232  0.413  1.0
  O  O34  1  0.552  0.086  0.595  1.0
  O  O35  1  0.914  0.466  0.595  1.0
  O  O36  1  0.448  0.914  0.095  1.0
  O  O37  1  0.534  0.448  0.595  1.0
  O  O38  1  0.086  0.534  0.095  1.0
  O  O39  1  0.466  0.552  0.095  1.0
  F  F40  1  0.000  0.000  0.544  1.0
  F  F41  1  0.000  0.000  0.044  1.0
[/CIF]
.