The material structure described by Ag4Se(O2I)2 crystallizes in the orthorhombic Pna2_1 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), one I(2), and two equivalent I(1) atoms. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent I(1), and two equivalent I(2) atoms. In the third Ag site, Ag(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one I(2), and two equivalent I(1) atoms. In the fourth Ag site, Ag(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one I(1), and two equivalent I(2) atoms. Se(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(3) is bonded in a distorted trigonal planar geometry to one Ag(1), one Ag(3), and one Se(1) atom. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Ag(1), one Ag(3), and one Se(1) atom. In the third O site, O(1) is bonded to one Ag(4), two equivalent Ag(2), and one Se(1) atom to form distorted corner-sharing OAg3Se tetrahedra. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ag(1), one Ag(4), and one Se(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 7-coordinate geometry to one Ag(4), two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms. In the second I site, I(2) is bonded in a 6-coordinate geometry to one Ag(1), one Ag(3), two equivalent Ag(2), and two equivalent Ag(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag4Se(IO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.282
_cell_length_b   9.527
_cell_length_c   13.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   918.584
_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  0.784  0.125  0.417  1.0
  Ag  Ag1  1  0.038  0.019  0.016  1.0
  Ag  Ag2  1  0.432  0.764  0.807  1.0
  Ag  Ag3  1  0.538  0.481  0.516  1.0
  Ag  Ag4  1  0.932  0.736  0.307  1.0
  Ag  Ag5  1  0.432  0.264  0.693  1.0
  Ag  Ag6  1  0.784  0.625  0.083  1.0
  Ag  Ag7  1  0.932  0.236  0.193  1.0
  Ag  Ag8  1  0.284  0.875  0.583  1.0
  Ag  Ag9  1  0.867  0.042  0.759  1.0
  Ag  Ag10  1  0.038  0.519  0.484  1.0
  Ag  Ag11  1  0.538  0.981  0.984  1.0
  Ag  Ag12  1  0.867  0.542  0.741  1.0
  Ag  Ag13  1  0.367  0.458  0.259  1.0
  Ag  Ag14  1  0.367  0.958  0.241  1.0
  Ag  Ag15  1  0.284  0.375  0.917  1.0
  Se  Se16  1  0.782  0.317  0.929  1.0
  Se  Se17  1  0.282  0.183  0.429  1.0
  Se  Se18  1  0.282  0.683  0.071  1.0
  Se  Se19  1  0.782  0.817  0.571  1.0
  I  I20  1  0.274  0.543  0.686  1.0
  I  I21  1  0.799  0.266  0.611  1.0
  I  I22  1  0.773  0.957  0.186  1.0
  I  I23  1  0.773  0.457  0.314  1.0
  I  I24  1  0.299  0.734  0.389  1.0
  I  I25  1  0.299  0.234  0.111  1.0
  I  I26  1  0.799  0.766  0.889  1.0
  I  I27  1  0.274  0.043  0.814  1.0
  O  O28  1  0.285  0.864  0.076  1.0
  O  O29  1  0.470  0.124  0.368  1.0
  O  O30  1  0.970  0.376  0.868  1.0
  O  O31  1  0.970  0.876  0.632  1.0
  O  O32  1  0.781  0.366  0.051  1.0
  O  O33  1  0.785  0.636  0.576  1.0
  O  O34  1  0.781  0.866  0.449  1.0
  O  O35  1  0.785  0.136  0.924  1.0
  O  O36  1  0.599  0.377  0.865  1.0
  O  O37  1  0.285  0.364  0.424  1.0
  O  O38  1  0.599  0.877  0.635  1.0
  O  O39  1  0.099  0.623  0.135  1.0
  O  O40  1  0.281  0.134  0.551  1.0
  O  O41  1  0.281  0.634  0.949  1.0
  O  O42  1  0.470  0.624  0.132  1.0
  O  O43  1  0.099  0.123  0.365  1.0
[/CIF]
.
The material structure described by Ag4Se(O2I)2 crystallizes in the orthorhombic Pna2_1 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), one I(2), and two equivalent I(1) atoms. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent I(1), and two equivalent I(2) atoms. In the third Ag site, Ag(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one I(2), and two equivalent I(1) atoms. In the fourth Ag site, Ag(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one I(1), and two equivalent I(2) atoms. Se(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(3) is bonded in a distorted trigonal planar geometry to one Ag(1), one Ag(3), and one Se(1) atom. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Ag(1), one Ag(3), and one Se(1) atom. In the third O site, O(1) is bonded to one Ag(4), two equivalent Ag(2), and one Se(1) atom to form distorted corner-sharing OAg3Se tetrahedra. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ag(1), one Ag(4), and one Se(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 7-coordinate geometry to one Ag(4), two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms. In the second I site, I(2) is bonded in a 6-coordinate geometry to one Ag(1), one Ag(3), two equivalent Ag(2), and two equivalent Ag(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag4Se(IO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.282
_cell_length_b   9.527
_cell_length_c   13.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   918.584
_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  0.784  0.125  0.417  1.0
  Ag  Ag1  1  0.038  0.019  0.016  1.0
  Ag  Ag2  1  0.432  0.764  0.807  1.0
  Ag  Ag3  1  0.538  0.481  0.516  1.0
  Ag  Ag4  1  0.932  0.736  0.307  1.0
  Ag  Ag5  1  0.432  0.264  0.693  1.0
  Ag  Ag6  1  0.784  0.625  0.083  1.0
  Ag  Ag7  1  0.932  0.236  0.193  1.0
  Ag  Ag8  1  0.284  0.875  0.583  1.0
  Ag  Ag9  1  0.867  0.042  0.759  1.0
  Ag  Ag10  1  0.038  0.519  0.484  1.0
  Ag  Ag11  1  0.538  0.981  0.984  1.0
  Ag  Ag12  1  0.867  0.542  0.741  1.0
  Ag  Ag13  1  0.367  0.458  0.259  1.0
  Ag  Ag14  1  0.367  0.958  0.241  1.0
  Ag  Ag15  1  0.284  0.375  0.917  1.0
  Se  Se16  1  0.782  0.317  0.929  1.0
  Se  Se17  1  0.282  0.183  0.429  1.0
  Se  Se18  1  0.282  0.683  0.071  1.0
  Se  Se19  1  0.782  0.817  0.571  1.0
  I  I20  1  0.274  0.543  0.686  1.0
  I  I21  1  0.799  0.266  0.611  1.0
  I  I22  1  0.773  0.957  0.186  1.0
  I  I23  1  0.773  0.457  0.314  1.0
  I  I24  1  0.299  0.734  0.389  1.0
  I  I25  1  0.299  0.234  0.111  1.0
  I  I26  1  0.799  0.766  0.889  1.0
  I  I27  1  0.274  0.043  0.814  1.0
  O  O28  1  0.285  0.864  0.076  1.0
  O  O29  1  0.470  0.124  0.368  1.0
  O  O30  1  0.970  0.376  0.868  1.0
  O  O31  1  0.970  0.876  0.632  1.0
  O  O32  1  0.781  0.366  0.051  1.0
  O  O33  1  0.785  0.636  0.576  1.0
  O  O34  1  0.781  0.866  0.449  1.0
  O  O35  1  0.785  0.136  0.924  1.0
  O  O36  1  0.599  0.377  0.865  1.0
  O  O37  1  0.285  0.364  0.424  1.0
  O  O38  1  0.599  0.877  0.635  1.0
  O  O39  1  0.099  0.623  0.135  1.0
  O  O40  1  0.281  0.134  0.551  1.0
  O  O41  1  0.281  0.634  0.949  1.0
  O  O42  1  0.470  0.624  0.132  1.0
  O  O43  1  0.099  0.123  0.365  1.0
[/CIF]
.