The material described by AgF3 crystallizes in the hexagonal P6_122 space group. Ag(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Ag(1) atoms. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   15.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   334.382
_cell_formula_units_Z   6
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  0.713  0.426  0.750  1.0
  Ag  Ag1  1  0.287  0.713  0.917  1.0
  Ag  Ag2  1  0.426  0.713  0.583  1.0
  Ag  Ag3  1  0.574  0.287  0.083  1.0
  Ag  Ag4  1  0.713  0.287  0.417  1.0
  Ag  Ag5  1  0.287  0.574  0.250  1.0
  F  F6  1  0.886  0.553  0.164  1.0
  F  F7  1  0.447  0.333  0.497  1.0
  F  F8  1  0.667  0.114  0.830  1.0
  F  F9  1  0.333  0.886  0.330  1.0
  F  F10  1  0.114  0.667  0.503  1.0
  F  F11  1  0.114  0.447  0.664  1.0
  F  F12  1  0.246  0.000  0.000  1.0
  F  F13  1  0.246  0.246  0.167  1.0
  F  F14  1  0.000  0.754  0.833  1.0
  F  F15  1  0.000  0.246  0.333  1.0
  F  F16  1  0.754  0.754  0.667  1.0
  F  F17  1  0.754  0.000  0.500  1.0
  F  F18  1  0.886  0.333  0.003  1.0
  F  F19  1  0.553  0.886  0.170  1.0
  F  F20  1  0.333  0.447  0.836  1.0
  F  F21  1  0.667  0.553  0.336  1.0
  F  F22  1  0.447  0.114  0.670  1.0
  F  F23  1  0.553  0.667  0.997  1.0
[/CIF]
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The material described by AgF3 crystallizes in the hexagonal P6_122 space group. Ag(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Ag(1) atoms. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   15.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   334.382
_cell_formula_units_Z   6
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  0.713  0.426  0.750  1.0
  Ag  Ag1  1  0.287  0.713  0.917  1.0
  Ag  Ag2  1  0.426  0.713  0.583  1.0
  Ag  Ag3  1  0.574  0.287  0.083  1.0
  Ag  Ag4  1  0.713  0.287  0.417  1.0
  Ag  Ag5  1  0.287  0.574  0.250  1.0
  F  F6  1  0.886  0.553  0.164  1.0
  F  F7  1  0.447  0.333  0.497  1.0
  F  F8  1  0.667  0.114  0.830  1.0
  F  F9  1  0.333  0.886  0.330  1.0
  F  F10  1  0.114  0.667  0.503  1.0
  F  F11  1  0.114  0.447  0.664  1.0
  F  F12  1  0.246  0.000  0.000  1.0
  F  F13  1  0.246  0.246  0.167  1.0
  F  F14  1  0.000  0.754  0.833  1.0
  F  F15  1  0.000  0.246  0.333  1.0
  F  F16  1  0.754  0.754  0.667  1.0
  F  F17  1  0.754  0.000  0.500  1.0
  F  F18  1  0.886  0.333  0.003  1.0
  F  F19  1  0.553  0.886  0.170  1.0
  F  F20  1  0.333  0.447  0.836  1.0
  F  F21  1  0.667  0.553  0.336  1.0
  F  F22  1  0.447  0.114  0.670  1.0
  F  F23  1  0.553  0.667  0.997  1.0
[/CIF]
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