The material structure described by CsAg2I3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent I(3), three equivalent I(1), and three equivalent I(2) atoms. Ag(1) is bonded to one I(1), one I(2), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing AgI4 tetrahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Ag(1) atoms. In the second I site, I(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Ag(1) atoms. In the third I site, I(3) is bonded to two equivalent Cs(1) and four equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing ICs2Ag4 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAg2I3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.089
_cell_length_b   11.673
_cell_length_c   14.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1036.228
_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
  Cs  Cs0  1  0.250  0.994  0.696  1.0
  Cs  Cs1  1  0.750  0.006  0.304  1.0
  Cs  Cs2  1  0.750  0.494  0.804  1.0
  Cs  Cs3  1  0.250  0.506  0.196  1.0
  Ag  Ag4  1  0.499  0.331  0.499  1.0
  Ag  Ag5  1  0.501  0.831  0.001  1.0
  Ag  Ag6  1  0.001  0.169  0.999  1.0
  Ag  Ag7  1  0.999  0.669  0.501  1.0
  Ag  Ag8  1  0.001  0.331  0.499  1.0
  Ag  Ag9  1  0.501  0.669  0.501  1.0
  Ag  Ag10  1  0.999  0.831  0.001  1.0
  Ag  Ag11  1  0.499  0.169  0.999  1.0
  I  I12  1  0.250  0.798  0.374  1.0
  I  I13  1  0.250  0.702  0.874  1.0
  I  I14  1  0.750  0.202  0.626  1.0
  I  I15  1  0.750  0.298  0.126  1.0
  I  I16  1  0.250  0.215  0.363  1.0
  I  I17  1  0.750  0.785  0.637  1.0
  I  I18  1  0.750  0.715  0.137  1.0
  I  I19  1  0.250  0.285  0.863  1.0
  I  I20  1  0.250  0.498  0.613  1.0
  I  I21  1  0.750  0.502  0.387  1.0
  I  I22  1  0.750  0.998  0.887  1.0
  I  I23  1  0.250  0.002  0.113  1.0
[/CIF]
.
The material structure described by CsAg2I3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent I(3), three equivalent I(1), and three equivalent I(2) atoms. Ag(1) is bonded to one I(1), one I(2), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing AgI4 tetrahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Ag(1) atoms. In the second I site, I(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Ag(1) atoms. In the third I site, I(3) is bonded to two equivalent Cs(1) and four equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing ICs2Ag4 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAg2I3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.089
_cell_length_b   11.673
_cell_length_c   14.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1036.228
_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
  Cs  Cs0  1  0.250  0.994  0.696  1.0
  Cs  Cs1  1  0.750  0.006  0.304  1.0
  Cs  Cs2  1  0.750  0.494  0.804  1.0
  Cs  Cs3  1  0.250  0.506  0.196  1.0
  Ag  Ag4  1  0.499  0.331  0.499  1.0
  Ag  Ag5  1  0.501  0.831  0.001  1.0
  Ag  Ag6  1  0.001  0.169  0.999  1.0
  Ag  Ag7  1  0.999  0.669  0.501  1.0
  Ag  Ag8  1  0.001  0.331  0.499  1.0
  Ag  Ag9  1  0.501  0.669  0.501  1.0
  Ag  Ag10  1  0.999  0.831  0.001  1.0
  Ag  Ag11  1  0.499  0.169  0.999  1.0
  I  I12  1  0.250  0.798  0.374  1.0
  I  I13  1  0.250  0.702  0.874  1.0
  I  I14  1  0.750  0.202  0.626  1.0
  I  I15  1  0.750  0.298  0.126  1.0
  I  I16  1  0.250  0.215  0.363  1.0
  I  I17  1  0.750  0.785  0.637  1.0
  I  I18  1  0.750  0.715  0.137  1.0
  I  I19  1  0.250  0.285  0.863  1.0
  I  I20  1  0.250  0.498  0.613  1.0
  I  I21  1  0.750  0.502  0.387  1.0
  I  I22  1  0.750  0.998  0.887  1.0
  I  I23  1  0.250  0.002  0.113  1.0
[/CIF]
.