The crystal structure described by Cs3CdI5 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(1), two equivalent I(2), two equivalent I(3), and three equivalent I(4) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one I(1), one I(2), two equivalent I(3), and four equivalent I(4) atoms. Cd(1) is bonded in a tetrahedral geometry to one I(1), one I(2), and two equivalent I(4) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded to one Cs(2), four equivalent Cs(1), and one Cd(1) atom to form distorted ICs5Cd octahedra that share corners with five equivalent I(3)Cs6 octahedra,  an edgeedge with one I(3)Cs6 octahedra, edges with two equivalent I(1)Cs5Cd octahedra, and  a faceface with one I(3)Cs6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the second I site, I(2) is bonded in a 6-coordinate geometry to one Cs(2), four equivalent Cs(1), and one Cd(1) atom. In the third I site, I(3) is bonded to two equivalent Cs(2) and four equivalent Cs(1) atoms to form ICs6 octahedra that share corners with five equivalent I(1)Cs5Cd octahedra,  an edgeedge with one I(1)Cs5Cd octahedra,  a faceface with one I(1)Cs5Cd octahedra, and faces with two equivalent I(3)Cs6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the fourth I site, I(4) is bonded in a 6-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3CdI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.134
_cell_length_b   11.971
_cell_length_c   15.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1826.336
_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  0.578  0.983  0.330  1.0
  Cs  Cs1  1  0.922  0.483  0.830  1.0
  Cs  Cs2  1  0.578  0.750  0.050  1.0
  Cs  Cs3  1  0.922  0.017  0.830  1.0
  Cs  Cs4  1  0.422  0.017  0.670  1.0
  Cs  Cs5  1  0.078  0.983  0.170  1.0
  Cs  Cs6  1  0.078  0.750  0.450  1.0
  Cs  Cs7  1  0.578  0.517  0.330  1.0
  Cs  Cs8  1  0.078  0.517  0.170  1.0
  Cs  Cs9  1  0.422  0.250  0.950  1.0
  Cs  Cs10  1  0.922  0.250  0.550  1.0
  Cs  Cs11  1  0.422  0.483  0.670  1.0
  Cd  Cd12  1  0.689  0.750  0.608  1.0
  Cd  Cd13  1  0.189  0.750  0.892  1.0
  Cd  Cd14  1  0.311  0.250  0.392  1.0
  Cd  Cd15  1  0.811  0.250  0.108  1.0
  I  I16  1  0.956  0.750  0.993  1.0
  I  I17  1  0.044  0.250  0.007  1.0
  I  I18  1  0.456  0.750  0.507  1.0
  I  I19  1  0.629  0.750  0.789  1.0
  I  I20  1  0.544  0.250  0.493  1.0
  I  I21  1  0.675  0.250  0.764  1.0
  I  I22  1  0.129  0.750  0.711  1.0
  I  I23  1  0.825  0.750  0.264  1.0
  I  I24  1  0.313  0.551  0.938  1.0
  I  I25  1  0.175  0.250  0.736  1.0
  I  I26  1  0.813  0.949  0.562  1.0
  I  I27  1  0.813  0.551  0.562  1.0
  I  I28  1  0.313  0.949  0.938  1.0
  I  I29  1  0.325  0.750  0.236  1.0
  I  I30  1  0.687  0.449  0.062  1.0
  I  I31  1  0.187  0.051  0.438  1.0
  I  I32  1  0.187  0.449  0.438  1.0
  I  I33  1  0.871  0.250  0.289  1.0
  I  I34  1  0.371  0.250  0.211  1.0
  I  I35  1  0.687  0.051  0.062  1.0
[/CIF]
.
The crystal structure described by Cs3CdI5 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(1), two equivalent I(2), two equivalent I(3), and three equivalent I(4) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one I(1), one I(2), two equivalent I(3), and four equivalent I(4) atoms. Cd(1) is bonded in a tetrahedral geometry to one I(1), one I(2), and two equivalent I(4) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded to one Cs(2), four equivalent Cs(1), and one Cd(1) atom to form distorted ICs5Cd octahedra that share corners with five equivalent I(3)Cs6 octahedra,  an edgeedge with one I(3)Cs6 octahedra, edges with two equivalent I(1)Cs5Cd octahedra, and  a faceface with one I(3)Cs6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the second I site, I(2) is bonded in a 6-coordinate geometry to one Cs(2), four equivalent Cs(1), and one Cd(1) atom. In the third I site, I(3) is bonded to two equivalent Cs(2) and four equivalent Cs(1) atoms to form ICs6 octahedra that share corners with five equivalent I(1)Cs5Cd octahedra,  an edgeedge with one I(1)Cs5Cd octahedra,  a faceface with one I(1)Cs5Cd octahedra, and faces with two equivalent I(3)Cs6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the fourth I site, I(4) is bonded in a 6-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3CdI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.134
_cell_length_b   11.971
_cell_length_c   15.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1826.336
_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  0.578  0.983  0.330  1.0
  Cs  Cs1  1  0.922  0.483  0.830  1.0
  Cs  Cs2  1  0.578  0.750  0.050  1.0
  Cs  Cs3  1  0.922  0.017  0.830  1.0
  Cs  Cs4  1  0.422  0.017  0.670  1.0
  Cs  Cs5  1  0.078  0.983  0.170  1.0
  Cs  Cs6  1  0.078  0.750  0.450  1.0
  Cs  Cs7  1  0.578  0.517  0.330  1.0
  Cs  Cs8  1  0.078  0.517  0.170  1.0
  Cs  Cs9  1  0.422  0.250  0.950  1.0
  Cs  Cs10  1  0.922  0.250  0.550  1.0
  Cs  Cs11  1  0.422  0.483  0.670  1.0
  Cd  Cd12  1  0.689  0.750  0.608  1.0
  Cd  Cd13  1  0.189  0.750  0.892  1.0
  Cd  Cd14  1  0.311  0.250  0.392  1.0
  Cd  Cd15  1  0.811  0.250  0.108  1.0
  I  I16  1  0.956  0.750  0.993  1.0
  I  I17  1  0.044  0.250  0.007  1.0
  I  I18  1  0.456  0.750  0.507  1.0
  I  I19  1  0.629  0.750  0.789  1.0
  I  I20  1  0.544  0.250  0.493  1.0
  I  I21  1  0.675  0.250  0.764  1.0
  I  I22  1  0.129  0.750  0.711  1.0
  I  I23  1  0.825  0.750  0.264  1.0
  I  I24  1  0.313  0.551  0.938  1.0
  I  I25  1  0.175  0.250  0.736  1.0
  I  I26  1  0.813  0.949  0.562  1.0
  I  I27  1  0.813  0.551  0.562  1.0
  I  I28  1  0.313  0.949  0.938  1.0
  I  I29  1  0.325  0.750  0.236  1.0
  I  I30  1  0.687  0.449  0.062  1.0
  I  I31  1  0.187  0.051  0.438  1.0
  I  I32  1  0.187  0.449  0.438  1.0
  I  I33  1  0.871  0.250  0.289  1.0
  I  I34  1  0.371  0.250  0.211  1.0
  I  I35  1  0.687  0.051  0.062  1.0
[/CIF]
.