The compound described by Ag2O5I crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ag(1), one Ag(2), and one I(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ag(1), one Ag(2), and one I(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ag(1), one Ag(2), and one I(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ag(2), two equivalent Ag(1), and one I(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ag(1) and two equivalent I(1) atoms. I(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form edge-sharing IO6 octahedra. is represented by the CIF file [CIF]
data_Ag2IO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   8.028
_cell_length_c   10.888
_cell_angle_alpha   90.000
_cell_angle_beta   117.357
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.356
_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  0.459  0.138  0.857  1.0
  Ag  Ag1  1  0.459  0.362  0.357  1.0
  Ag  Ag2  1  0.541  0.862  0.143  1.0
  Ag  Ag3  1  0.541  0.638  0.643  1.0
  Ag  Ag4  1  0.259  0.588  0.830  1.0
  Ag  Ag5  1  0.259  0.912  0.330  1.0
  Ag  Ag6  1  0.741  0.412  0.170  1.0
  Ag  Ag7  1  0.741  0.088  0.670  1.0
  I  I8  1  0.879  0.815  0.962  1.0
  I  I9  1  0.879  0.685  0.462  1.0
  I  I10  1  0.121  0.185  0.038  1.0
  I  I11  1  0.121  0.315  0.538  1.0
  O  O12  1  0.155  0.735  0.114  1.0
  O  O13  1  0.155  0.765  0.614  1.0
  O  O14  1  0.845  0.265  0.886  1.0
  O  O15  1  0.845  0.235  0.386  1.0
  O  O16  1  0.909  0.659  0.841  1.0
  O  O17  1  0.909  0.841  0.341  1.0
  O  O18  1  0.091  0.341  0.159  1.0
  O  O19  1  0.091  0.159  0.659  1.0
  O  O20  1  0.643  0.703  0.005  1.0
  O  O21  1  0.643  0.797  0.505  1.0
  O  O22  1  0.357  0.297  0.995  1.0
  O  O23  1  0.357  0.203  0.495  1.0
  O  O24  1  0.611  0.916  0.801  1.0
  O  O25  1  0.611  0.584  0.301  1.0
  O  O26  1  0.389  0.084  0.199  1.0
  O  O27  1  0.389  0.416  0.699  1.0
  O  O28  1  0.871  0.020  0.068  1.0
  O  O29  1  0.871  0.480  0.568  1.0
  O  O30  1  0.129  0.980  0.932  1.0
  O  O31  1  0.129  0.520  0.432  1.0
[/CIF]
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The compound described by Ag2O5I crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ag(1), one Ag(2), and one I(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ag(1), one Ag(2), and one I(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ag(1), one Ag(2), and one I(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ag(2), two equivalent Ag(1), and one I(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ag(1) and two equivalent I(1) atoms. I(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form edge-sharing IO6 octahedra. is represented by the CIF file [CIF]
data_Ag2IO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   8.028
_cell_length_c   10.888
_cell_angle_alpha   90.000
_cell_angle_beta   117.357
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.356
_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  0.459  0.138  0.857  1.0
  Ag  Ag1  1  0.459  0.362  0.357  1.0
  Ag  Ag2  1  0.541  0.862  0.143  1.0
  Ag  Ag3  1  0.541  0.638  0.643  1.0
  Ag  Ag4  1  0.259  0.588  0.830  1.0
  Ag  Ag5  1  0.259  0.912  0.330  1.0
  Ag  Ag6  1  0.741  0.412  0.170  1.0
  Ag  Ag7  1  0.741  0.088  0.670  1.0
  I  I8  1  0.879  0.815  0.962  1.0
  I  I9  1  0.879  0.685  0.462  1.0
  I  I10  1  0.121  0.185  0.038  1.0
  I  I11  1  0.121  0.315  0.538  1.0
  O  O12  1  0.155  0.735  0.114  1.0
  O  O13  1  0.155  0.765  0.614  1.0
  O  O14  1  0.845  0.265  0.886  1.0
  O  O15  1  0.845  0.235  0.386  1.0
  O  O16  1  0.909  0.659  0.841  1.0
  O  O17  1  0.909  0.841  0.341  1.0
  O  O18  1  0.091  0.341  0.159  1.0
  O  O19  1  0.091  0.159  0.659  1.0
  O  O20  1  0.643  0.703  0.005  1.0
  O  O21  1  0.643  0.797  0.505  1.0
  O  O22  1  0.357  0.297  0.995  1.0
  O  O23  1  0.357  0.203  0.495  1.0
  O  O24  1  0.611  0.916  0.801  1.0
  O  O25  1  0.611  0.584  0.301  1.0
  O  O26  1  0.389  0.084  0.199  1.0
  O  O27  1  0.389  0.416  0.699  1.0
  O  O28  1  0.871  0.020  0.068  1.0
  O  O29  1  0.871  0.480  0.568  1.0
  O  O30  1  0.129  0.980  0.932  1.0
  O  O31  1  0.129  0.520  0.432  1.0
[/CIF]
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