The compound described by Ir8Cd41 crystallizes in the trigonal R-3 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 10-coordinate geometry to one Cd(1), three equivalent Cd(5), three equivalent Cd(8), and three equivalent Cd(9) atoms. In the second Ir site, Ir(1) is bonded in a 10-coordinate geometry to one Cd(3), one Cd(5), one Cd(8), one Cd(9), two equivalent Cd(4), two equivalent Cd(6), and two equivalent Cd(7) atoms. There are nine inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 8-coordinate geometry to two equivalent Ir(2) and six equivalent Cd(5) atoms. In the second Cd site, Cd(2) is bonded in a cuboctahedral geometry to six equivalent Cd(7) and six equivalent Cd(9) atoms. In the third Cd site, Cd(3) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. In the fourth Cd site, Cd(9) is bonded in a distorted bent 150 degrees geometry to one Ir(1), one Ir(2), and one Cd(2) atom. In the fifth Cd site, Cd(4) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. In the sixth Cd site, Cd(5) is bonded in a distorted linear geometry to one Ir(1), one Ir(2), and one Cd(1) atom. In the seventh Cd site, Cd(6) is bonded in a 2-coordinate geometry to two equivalent Ir(1) atoms. In the eighth Cd site, Cd(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and one Cd(2) atom. In the ninth Cd site, Cd(8) is bonded in a distorted linear geometry to one Ir(1) and one Ir(2) atom. is represented by the CIF card [CIF]
data_Cd41Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.168
_cell_length_b   10.168
_cell_length_c   10.168
_cell_angle_alpha   94.819
_cell_angle_beta   94.819
_cell_angle_gamma   94.819
_symmetry_Int_Tables_number   1
_cell_volume   1039.534
_cell_formula_units_Z   1
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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.500  0.500  0.500  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.000  0.500  0.500  1.0
  Cd  Cd4  1  0.500  0.500  0.000  1.0
  Cd  Cd5  1  0.449  0.778  0.075  1.0
  Cd  Cd6  1  0.778  0.075  0.449  1.0
  Cd  Cd7  1  0.075  0.449  0.778  1.0
  Cd  Cd8  1  0.551  0.222  0.925  1.0
  Cd  Cd9  1  0.222  0.925  0.551  1.0
  Cd  Cd10  1  0.925  0.551  0.222  1.0
  Cd  Cd11  1  0.050  0.730  0.871  1.0
  Cd  Cd12  1  0.730  0.871  0.050  1.0
  Cd  Cd13  1  0.871  0.050  0.730  1.0
  Cd  Cd14  1  0.950  0.270  0.129  1.0
  Cd  Cd15  1  0.270  0.129  0.950  1.0
  Cd  Cd16  1  0.129  0.950  0.270  1.0
  Cd  Cd17  1  0.178  0.680  0.128  1.0
  Cd  Cd18  1  0.680  0.128  0.178  1.0
  Cd  Cd19  1  0.128  0.178  0.680  1.0
  Cd  Cd20  1  0.822  0.320  0.872  1.0
  Cd  Cd21  1  0.320  0.872  0.822  1.0
  Cd  Cd22  1  0.872  0.822  0.320  1.0
  Cd  Cd23  1  0.366  0.390  0.738  1.0
  Cd  Cd24  1  0.390  0.738  0.366  1.0
  Cd  Cd25  1  0.738  0.366  0.390  1.0
  Cd  Cd26  1  0.634  0.610  0.262  1.0
  Cd  Cd27  1  0.610  0.262  0.634  1.0
  Cd  Cd28  1  0.262  0.634  0.610  1.0
  Cd  Cd29  1  0.597  0.965  0.783  1.0
  Cd  Cd30  1  0.965  0.783  0.597  1.0
  Cd  Cd31  1  0.783  0.597  0.965  1.0
  Cd  Cd32  1  0.403  0.035  0.217  1.0
  Cd  Cd33  1  0.035  0.217  0.403  1.0
  Cd  Cd34  1  0.217  0.403  0.035  1.0
  Cd  Cd35  1  0.538  0.668  0.775  1.0
  Cd  Cd36  1  0.668  0.775  0.538  1.0
  Cd  Cd37  1  0.775  0.538  0.668  1.0
  Cd  Cd38  1  0.462  0.332  0.225  1.0
  Cd  Cd39  1  0.332  0.225  0.462  1.0
  Cd  Cd40  1  0.225  0.462  0.332  1.0
  Ir  Ir41  1  0.286  0.617  0.890  1.0
  Ir  Ir42  1  0.617  0.890  0.286  1.0
  Ir  Ir43  1  0.890  0.286  0.617  1.0
  Ir  Ir44  1  0.714  0.383  0.110  1.0
  Ir  Ir45  1  0.383  0.110  0.714  1.0
  Ir  Ir46  1  0.110  0.714  0.383  1.0
  Ir  Ir47  1  0.807  0.807  0.807  1.0
  Ir  Ir48  1  0.193  0.193  0.193  1.0
[/CIF]
.
The compound described by Ir8Cd41 crystallizes in the trigonal R-3 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 10-coordinate geometry to one Cd(1), three equivalent Cd(5), three equivalent Cd(8), and three equivalent Cd(9) atoms. In the second Ir site, Ir(1) is bonded in a 10-coordinate geometry to one Cd(3), one Cd(5), one Cd(8), one Cd(9), two equivalent Cd(4), two equivalent Cd(6), and two equivalent Cd(7) atoms. There are nine inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 8-coordinate geometry to two equivalent Ir(2) and six equivalent Cd(5) atoms. In the second Cd site, Cd(2) is bonded in a cuboctahedral geometry to six equivalent Cd(7) and six equivalent Cd(9) atoms. In the third Cd site, Cd(3) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. In the fourth Cd site, Cd(9) is bonded in a distorted bent 150 degrees geometry to one Ir(1), one Ir(2), and one Cd(2) atom. In the fifth Cd site, Cd(4) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. In the sixth Cd site, Cd(5) is bonded in a distorted linear geometry to one Ir(1), one Ir(2), and one Cd(1) atom. In the seventh Cd site, Cd(6) is bonded in a 2-coordinate geometry to two equivalent Ir(1) atoms. In the eighth Cd site, Cd(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and one Cd(2) atom. In the ninth Cd site, Cd(8) is bonded in a distorted linear geometry to one Ir(1) and one Ir(2) atom. is represented by the CIF card [CIF]
data_Cd41Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.168
_cell_length_b   10.168
_cell_length_c   10.168
_cell_angle_alpha   94.819
_cell_angle_beta   94.819
_cell_angle_gamma   94.819
_symmetry_Int_Tables_number   1
_cell_volume   1039.534
_cell_formula_units_Z   1
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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.500  0.500  0.500  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.000  0.500  0.500  1.0
  Cd  Cd4  1  0.500  0.500  0.000  1.0
  Cd  Cd5  1  0.449  0.778  0.075  1.0
  Cd  Cd6  1  0.778  0.075  0.449  1.0
  Cd  Cd7  1  0.075  0.449  0.778  1.0
  Cd  Cd8  1  0.551  0.222  0.925  1.0
  Cd  Cd9  1  0.222  0.925  0.551  1.0
  Cd  Cd10  1  0.925  0.551  0.222  1.0
  Cd  Cd11  1  0.050  0.730  0.871  1.0
  Cd  Cd12  1  0.730  0.871  0.050  1.0
  Cd  Cd13  1  0.871  0.050  0.730  1.0
  Cd  Cd14  1  0.950  0.270  0.129  1.0
  Cd  Cd15  1  0.270  0.129  0.950  1.0
  Cd  Cd16  1  0.129  0.950  0.270  1.0
  Cd  Cd17  1  0.178  0.680  0.128  1.0
  Cd  Cd18  1  0.680  0.128  0.178  1.0
  Cd  Cd19  1  0.128  0.178  0.680  1.0
  Cd  Cd20  1  0.822  0.320  0.872  1.0
  Cd  Cd21  1  0.320  0.872  0.822  1.0
  Cd  Cd22  1  0.872  0.822  0.320  1.0
  Cd  Cd23  1  0.366  0.390  0.738  1.0
  Cd  Cd24  1  0.390  0.738  0.366  1.0
  Cd  Cd25  1  0.738  0.366  0.390  1.0
  Cd  Cd26  1  0.634  0.610  0.262  1.0
  Cd  Cd27  1  0.610  0.262  0.634  1.0
  Cd  Cd28  1  0.262  0.634  0.610  1.0
  Cd  Cd29  1  0.597  0.965  0.783  1.0
  Cd  Cd30  1  0.965  0.783  0.597  1.0
  Cd  Cd31  1  0.783  0.597  0.965  1.0
  Cd  Cd32  1  0.403  0.035  0.217  1.0
  Cd  Cd33  1  0.035  0.217  0.403  1.0
  Cd  Cd34  1  0.217  0.403  0.035  1.0
  Cd  Cd35  1  0.538  0.668  0.775  1.0
  Cd  Cd36  1  0.668  0.775  0.538  1.0
  Cd  Cd37  1  0.775  0.538  0.668  1.0
  Cd  Cd38  1  0.462  0.332  0.225  1.0
  Cd  Cd39  1  0.332  0.225  0.462  1.0
  Cd  Cd40  1  0.225  0.462  0.332  1.0
  Ir  Ir41  1  0.286  0.617  0.890  1.0
  Ir  Ir42  1  0.617  0.890  0.286  1.0
  Ir  Ir43  1  0.890  0.286  0.617  1.0
  Ir  Ir44  1  0.714  0.383  0.110  1.0
  Ir  Ir45  1  0.383  0.110  0.714  1.0
  Ir  Ir46  1  0.110  0.714  0.383  1.0
  Ir  Ir47  1  0.807  0.807  0.807  1.0
  Ir  Ir48  1  0.193  0.193  0.193  1.0
[/CIF]
.