The compound described by Ag5O6I crystallizes in the trigonal R-3c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Ag site, Ag(2) is bonded to six equivalent O(1) atoms to form distorted AgO6 pentagonal pyramids that share edges with three equivalent I(1)O6 octahedra and edges with three equivalent Ag(2)O6 pentagonal pyramids. O(1) is bonded in a 4-coordinate geometry to one Ag(1), two equivalent Ag(2), and one I(1) atom. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share edges with six equivalent Ag(2)O6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Ag5IO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.483
_cell_length_b   11.483
_cell_length_c   11.483
_cell_angle_alpha   30.392
_cell_angle_beta   30.392
_cell_angle_gamma   30.392
_symmetry_Int_Tables_number   1
_cell_volume   343.468
_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
  Ag  Ag0  1  0.250  0.545  0.955  1.0
  Ag  Ag1  1  0.545  0.955  0.250  1.0
  Ag  Ag2  1  0.955  0.250  0.545  1.0
  Ag  Ag3  1  0.150  0.150  0.150  1.0
  Ag  Ag4  1  0.650  0.650  0.650  1.0
  Ag  Ag5  1  0.750  0.455  0.045  1.0
  Ag  Ag6  1  0.350  0.350  0.350  1.0
  Ag  Ag7  1  0.455  0.045  0.750  1.0
  Ag  Ag8  1  0.850  0.850  0.850  1.0
  Ag  Ag9  1  0.045  0.750  0.455  1.0
  I  I10  1  0.500  0.500  0.500  1.0
  I  I11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.016  0.680  0.203  1.0
  O  O13  1  0.984  0.320  0.797  1.0
  O  O14  1  0.297  0.820  0.484  1.0
  O  O15  1  0.320  0.797  0.984  1.0
  O  O16  1  0.180  0.516  0.703  1.0
  O  O17  1  0.703  0.180  0.516  1.0
  O  O18  1  0.516  0.703  0.180  1.0
  O  O19  1  0.797  0.984  0.320  1.0
  O  O20  1  0.820  0.484  0.297  1.0
  O  O21  1  0.680  0.203  0.016  1.0
  O  O22  1  0.484  0.297  0.820  1.0
  O  O23  1  0.203  0.016  0.680  1.0
[/CIF]
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The compound described by Ag5O6I crystallizes in the trigonal R-3c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Ag site, Ag(2) is bonded to six equivalent O(1) atoms to form distorted AgO6 pentagonal pyramids that share edges with three equivalent I(1)O6 octahedra and edges with three equivalent Ag(2)O6 pentagonal pyramids. O(1) is bonded in a 4-coordinate geometry to one Ag(1), two equivalent Ag(2), and one I(1) atom. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share edges with six equivalent Ag(2)O6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Ag5IO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.483
_cell_length_b   11.483
_cell_length_c   11.483
_cell_angle_alpha   30.392
_cell_angle_beta   30.392
_cell_angle_gamma   30.392
_symmetry_Int_Tables_number   1
_cell_volume   343.468
_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
  Ag  Ag0  1  0.250  0.545  0.955  1.0
  Ag  Ag1  1  0.545  0.955  0.250  1.0
  Ag  Ag2  1  0.955  0.250  0.545  1.0
  Ag  Ag3  1  0.150  0.150  0.150  1.0
  Ag  Ag4  1  0.650  0.650  0.650  1.0
  Ag  Ag5  1  0.750  0.455  0.045  1.0
  Ag  Ag6  1  0.350  0.350  0.350  1.0
  Ag  Ag7  1  0.455  0.045  0.750  1.0
  Ag  Ag8  1  0.850  0.850  0.850  1.0
  Ag  Ag9  1  0.045  0.750  0.455  1.0
  I  I10  1  0.500  0.500  0.500  1.0
  I  I11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.016  0.680  0.203  1.0
  O  O13  1  0.984  0.320  0.797  1.0
  O  O14  1  0.297  0.820  0.484  1.0
  O  O15  1  0.320  0.797  0.984  1.0
  O  O16  1  0.180  0.516  0.703  1.0
  O  O17  1  0.703  0.180  0.516  1.0
  O  O18  1  0.516  0.703  0.180  1.0
  O  O19  1  0.797  0.984  0.320  1.0
  O  O20  1  0.820  0.484  0.297  1.0
  O  O21  1  0.680  0.203  0.016  1.0
  O  O22  1  0.484  0.297  0.820  1.0
  O  O23  1  0.203  0.016  0.680  1.0
[/CIF]
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