The compound described by Ag2PO3F crystallizes in the monoclinic C2/c space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AgO4 tetrahedra that share corners with two equivalent Ag(1)O4 tetrahedra and corners with four equivalent P(1)O3F tetrahedra. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Ag site, Ag(3) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form PO3F tetrahedra that share corners with four equivalent Ag(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ag(2), two equivalent Ag(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ag(1), one Ag(2), one Ag(3), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), and one P(1) atom. F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag2PO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   15.249
_cell_angle_alpha   88.018
_cell_angle_beta   88.018
_cell_angle_gamma   61.790
_symmetry_Int_Tables_number   1
_cell_volume   406.560
_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
  Ag  Ag0  1  0.614  0.688  0.333  1.0
  Ag  Ag1  1  0.028  0.972  0.750  1.0
  Ag  Ag2  1  0.386  0.312  0.667  1.0
  Ag  Ag3  1  0.688  0.614  0.833  1.0
  Ag  Ag4  1  0.312  0.386  0.167  1.0
  Ag  Ag5  1  0.972  0.028  0.250  1.0
  Ag  Ag6  1  0.000  0.000  0.000  1.0
  Ag  Ag7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.644  0.731  0.120  1.0
  P  P9  1  0.356  0.269  0.880  1.0
  P  P10  1  0.731  0.644  0.620  1.0
  P  P11  1  0.269  0.356  0.380  1.0
  O  O12  1  0.161  0.490  0.815  1.0
  O  O13  1  0.661  0.193  0.866  1.0
  O  O14  1  0.698  0.980  0.109  1.0
  O  O15  1  0.193  0.661  0.366  1.0
  O  O16  1  0.839  0.510  0.185  1.0
  O  O17  1  0.510  0.839  0.685  1.0
  O  O18  1  0.980  0.698  0.609  1.0
  O  O19  1  0.490  0.161  0.315  1.0
  O  O20  1  0.020  0.302  0.391  1.0
  O  O21  1  0.302  0.020  0.891  1.0
  O  O22  1  0.807  0.339  0.634  1.0
  O  O23  1  0.339  0.807  0.134  1.0
  F  F24  1  0.417  0.275  0.474  1.0
  F  F25  1  0.583  0.725  0.526  1.0
  F  F26  1  0.725  0.583  0.026  1.0
  F  F27  1  0.275  0.417  0.974  1.0
[/CIF]
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The compound described by Ag2PO3F crystallizes in the monoclinic C2/c space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AgO4 tetrahedra that share corners with two equivalent Ag(1)O4 tetrahedra and corners with four equivalent P(1)O3F tetrahedra. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Ag site, Ag(3) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form PO3F tetrahedra that share corners with four equivalent Ag(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ag(2), two equivalent Ag(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ag(1), one Ag(2), one Ag(3), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), and one P(1) atom. F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag2PO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   15.249
_cell_angle_alpha   88.018
_cell_angle_beta   88.018
_cell_angle_gamma   61.790
_symmetry_Int_Tables_number   1
_cell_volume   406.560
_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
  Ag  Ag0  1  0.614  0.688  0.333  1.0
  Ag  Ag1  1  0.028  0.972  0.750  1.0
  Ag  Ag2  1  0.386  0.312  0.667  1.0
  Ag  Ag3  1  0.688  0.614  0.833  1.0
  Ag  Ag4  1  0.312  0.386  0.167  1.0
  Ag  Ag5  1  0.972  0.028  0.250  1.0
  Ag  Ag6  1  0.000  0.000  0.000  1.0
  Ag  Ag7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.644  0.731  0.120  1.0
  P  P9  1  0.356  0.269  0.880  1.0
  P  P10  1  0.731  0.644  0.620  1.0
  P  P11  1  0.269  0.356  0.380  1.0
  O  O12  1  0.161  0.490  0.815  1.0
  O  O13  1  0.661  0.193  0.866  1.0
  O  O14  1  0.698  0.980  0.109  1.0
  O  O15  1  0.193  0.661  0.366  1.0
  O  O16  1  0.839  0.510  0.185  1.0
  O  O17  1  0.510  0.839  0.685  1.0
  O  O18  1  0.980  0.698  0.609  1.0
  O  O19  1  0.490  0.161  0.315  1.0
  O  O20  1  0.020  0.302  0.391  1.0
  O  O21  1  0.302  0.020  0.891  1.0
  O  O22  1  0.807  0.339  0.634  1.0
  O  O23  1  0.339  0.807  0.134  1.0
  F  F24  1  0.417  0.275  0.474  1.0
  F  F25  1  0.583  0.725  0.526  1.0
  F  F26  1  0.725  0.583  0.026  1.0
  F  F27  1  0.275  0.417  0.974  1.0
[/CIF]
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