The compound described by Cs2CdI4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent I(2), three equivalent I(3), and four equivalent I(1) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one I(3), three equivalent I(2), and four equivalent I(1) atoms. Cd(1) is bonded in a tetrahedral geometry to one I(2), one I(3), and two equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Cd(1) atom to form a mixture of distorted edge, face, and corner-sharing ICs4Cd square pyramids. In the second I site, I(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Cd(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Cd(1) atom. is represented by the CIF file [CIF]
data_Cs2CdI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   11.006
_cell_length_c   15.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1431.942
_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  0.478  0.169  1.0
  Cs  Cs1  1  0.250  0.615  0.577  1.0
  Cs  Cs2  1  0.750  0.385  0.423  1.0
  Cs  Cs3  1  0.250  0.115  0.923  1.0
  Cs  Cs4  1  0.250  0.978  0.331  1.0
  Cs  Cs5  1  0.750  0.522  0.831  1.0
  Cs  Cs6  1  0.750  0.885  0.077  1.0
  Cs  Cs7  1  0.750  0.022  0.669  1.0
  Cd  Cd8  1  0.250  0.724  0.925  1.0
  Cd  Cd9  1  0.250  0.224  0.575  1.0
  Cd  Cd10  1  0.750  0.276  0.075  1.0
  Cd  Cd11  1  0.750  0.776  0.425  1.0
  I  I12  1  0.012  0.172  0.154  1.0
  I  I13  1  0.512  0.328  0.654  1.0
  I  I14  1  0.750  0.183  0.902  1.0
  I  I15  1  0.250  0.472  0.908  1.0
  I  I16  1  0.488  0.672  0.346  1.0
  I  I17  1  0.250  0.817  0.098  1.0
  I  I18  1  0.512  0.828  0.846  1.0
  I  I19  1  0.750  0.683  0.598  1.0
  I  I20  1  0.750  0.028  0.408  1.0
  I  I21  1  0.750  0.528  0.092  1.0
  I  I22  1  0.488  0.172  0.154  1.0
  I  I23  1  0.988  0.328  0.654  1.0
  I  I24  1  0.250  0.317  0.402  1.0
  I  I25  1  0.988  0.828  0.846  1.0
  I  I26  1  0.250  0.972  0.592  1.0
  I  I27  1  0.012  0.672  0.346  1.0
[/CIF]
.
The compound described by Cs2CdI4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent I(2), three equivalent I(3), and four equivalent I(1) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one I(3), three equivalent I(2), and four equivalent I(1) atoms. Cd(1) is bonded in a tetrahedral geometry to one I(2), one I(3), and two equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Cd(1) atom to form a mixture of distorted edge, face, and corner-sharing ICs4Cd square pyramids. In the second I site, I(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Cd(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Cd(1) atom. is represented by the CIF file [CIF]
data_Cs2CdI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   11.006
_cell_length_c   15.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1431.942
_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  0.478  0.169  1.0
  Cs  Cs1  1  0.250  0.615  0.577  1.0
  Cs  Cs2  1  0.750  0.385  0.423  1.0
  Cs  Cs3  1  0.250  0.115  0.923  1.0
  Cs  Cs4  1  0.250  0.978  0.331  1.0
  Cs  Cs5  1  0.750  0.522  0.831  1.0
  Cs  Cs6  1  0.750  0.885  0.077  1.0
  Cs  Cs7  1  0.750  0.022  0.669  1.0
  Cd  Cd8  1  0.250  0.724  0.925  1.0
  Cd  Cd9  1  0.250  0.224  0.575  1.0
  Cd  Cd10  1  0.750  0.276  0.075  1.0
  Cd  Cd11  1  0.750  0.776  0.425  1.0
  I  I12  1  0.012  0.172  0.154  1.0
  I  I13  1  0.512  0.328  0.654  1.0
  I  I14  1  0.750  0.183  0.902  1.0
  I  I15  1  0.250  0.472  0.908  1.0
  I  I16  1  0.488  0.672  0.346  1.0
  I  I17  1  0.250  0.817  0.098  1.0
  I  I18  1  0.512  0.828  0.846  1.0
  I  I19  1  0.750  0.683  0.598  1.0
  I  I20  1  0.750  0.028  0.408  1.0
  I  I21  1  0.750  0.528  0.092  1.0
  I  I22  1  0.488  0.172  0.154  1.0
  I  I23  1  0.988  0.328  0.654  1.0
  I  I24  1  0.250  0.317  0.402  1.0
  I  I25  1  0.988  0.828  0.846  1.0
  I  I26  1  0.250  0.972  0.592  1.0
  I  I27  1  0.012  0.672  0.346  1.0
[/CIF]
.