The material structure described by Ca9Cd4Bi9 crystallizes in the orthorhombic Pbam space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), one Bi(4), two equivalent Bi(1), and two equivalent Bi(2) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to two equivalent Cd(1), one Bi(3), two equivalent Bi(1), and two equivalent Bi(5) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent Cd(1), two equivalent Bi(2), and four equivalent Bi(4) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Cd(1), one Bi(2), one Bi(5), two equivalent Bi(3), and two equivalent Bi(4) atoms. In the fifth Ca site, Ca(5) is bonded to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted corner and edge-sharing CaBi6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to one Ca(3), one Ca(4), two equivalent Ca(1), two equivalent Ca(2), one Bi(1), one Bi(5), and two equivalent Bi(4) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), one Bi(1), one Bi(2), and two equivalent Bi(3) atoms. There are five inequivalent Bi sites. In the first Bi site, Bi(3) is bonded in a 7-coordinate geometry to one Ca(2), two equivalent Ca(4), two equivalent Ca(5), and two equivalent Cd(2) atoms. In the second Bi site, Bi(4) is bonded in a 7-coordinate geometry to one Ca(1), two equivalent Ca(3), two equivalent Ca(4), and two equivalent Cd(1) atoms. In the third Bi site, Bi(5) is bonded in a distorted body-centered cubic geometry to two equivalent Ca(4), four equivalent Ca(2), and two equivalent Cd(1) atoms. In the fourth Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(5), one Cd(1), and one Cd(2) atom. In the fifth Bi site, Bi(2) is bonded to one Ca(3), one Ca(4), two equivalent Ca(1), two equivalent Ca(5), and one Cd(2) atom to form a mixture of distorted corner and edge-sharing BiCa6Cd pentagonal bipyramids. is represented by the CIF file [CIF]
data_Ca9Cd4Bi9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.758
_cell_length_b   12.850
_cell_length_c   22.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1386.306
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.000  0.368  0.636  1.0
  Ca  Ca1  1  0.000  0.567  0.911  1.0
  Ca  Ca2  1  0.000  0.632  0.364  1.0
  Ca  Ca3  1  0.000  0.433  0.089  1.0
  Ca  Ca4  1  0.000  0.132  0.136  1.0
  Ca  Ca5  1  0.000  0.868  0.864  1.0
  Ca  Ca6  1  0.500  0.500  0.500  1.0
  Ca  Ca7  1  0.500  1.000  1.000  1.0
  Ca  Ca8  1  0.500  0.709  0.101  1.0
  Ca  Ca9  1  0.500  0.291  0.899  1.0
  Ca  Ca10  1  0.500  0.209  0.399  1.0
  Ca  Ca11  1  0.500  0.791  0.601  1.0
  Ca  Ca12  1  0.000  0.875  0.234  1.0
  Ca  Ca13  1  0.000  0.125  0.766  1.0
  Ca  Ca14  1  0.000  0.375  0.266  1.0
  Ca  Ca15  1  0.000  0.625  0.734  1.0
  Ca  Ca16  1  0.000  0.933  0.411  1.0
  Ca  Ca17  1  0.000  0.067  0.589  1.0
  Cd  Cd18  1  0.500  0.731  0.953  1.0
  Cd  Cd19  1  0.500  0.269  0.047  1.0
  Cd  Cd20  1  0.500  0.231  0.547  1.0
  Cd  Cd21  1  0.500  0.769  0.453  1.0
  Cd  Cd22  1  0.500  0.614  0.260  1.0
  Cd  Cd23  1  0.500  0.114  0.240  1.0
  Cd  Cd24  1  0.500  0.386  0.740  1.0
  Cd  Cd25  1  0.500  0.886  0.760  1.0
  Bi  Bi26  1  0.500  0.816  0.328  1.0
  Bi  Bi27  1  0.500  0.184  0.672  1.0
  Bi  Bi28  1  0.500  0.316  0.172  1.0
  Bi  Bi29  1  0.500  0.684  0.828  1.0
  Bi  Bi30  1  0.500  0.955  0.144  1.0
  Bi  Bi31  1  0.500  0.045  0.856  1.0
  Bi  Bi32  1  0.500  0.455  0.356  1.0
  Bi  Bi33  1  0.500  0.545  0.644  1.0
  Bi  Bi34  1  0.000  0.618  0.187  1.0
  Bi  Bi35  1  0.000  0.382  0.813  1.0
  Bi  Bi36  1  0.000  0.118  0.313  1.0
  Bi  Bi37  1  0.000  0.882  0.687  1.0
  Bi  Bi38  1  0.000  0.818  0.011  1.0
  Bi  Bi39  1  0.000  0.182  0.989  1.0
  Bi  Bi40  1  0.000  0.318  0.489  1.0
  Bi  Bi41  1  0.000  0.682  0.511  1.0
  Bi  Bi42  1  0.500  1.000  0.500  1.0
  Bi  Bi43  1  0.500  0.500  1.000  1.0
[/CIF]
.
The material structure described by Ca9Cd4Bi9 crystallizes in the orthorhombic Pbam space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), one Bi(4), two equivalent Bi(1), and two equivalent Bi(2) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to two equivalent Cd(1), one Bi(3), two equivalent Bi(1), and two equivalent Bi(5) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent Cd(1), two equivalent Bi(2), and four equivalent Bi(4) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Cd(1), one Bi(2), one Bi(5), two equivalent Bi(3), and two equivalent Bi(4) atoms. In the fifth Ca site, Ca(5) is bonded to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted corner and edge-sharing CaBi6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to one Ca(3), one Ca(4), two equivalent Ca(1), two equivalent Ca(2), one Bi(1), one Bi(5), and two equivalent Bi(4) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), one Bi(1), one Bi(2), and two equivalent Bi(3) atoms. There are five inequivalent Bi sites. In the first Bi site, Bi(3) is bonded in a 7-coordinate geometry to one Ca(2), two equivalent Ca(4), two equivalent Ca(5), and two equivalent Cd(2) atoms. In the second Bi site, Bi(4) is bonded in a 7-coordinate geometry to one Ca(1), two equivalent Ca(3), two equivalent Ca(4), and two equivalent Cd(1) atoms. In the third Bi site, Bi(5) is bonded in a distorted body-centered cubic geometry to two equivalent Ca(4), four equivalent Ca(2), and two equivalent Cd(1) atoms. In the fourth Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(5), one Cd(1), and one Cd(2) atom. In the fifth Bi site, Bi(2) is bonded to one Ca(3), one Ca(4), two equivalent Ca(1), two equivalent Ca(5), and one Cd(2) atom to form a mixture of distorted corner and edge-sharing BiCa6Cd pentagonal bipyramids. is represented by the CIF file [CIF]
data_Ca9Cd4Bi9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.758
_cell_length_b   12.850
_cell_length_c   22.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1386.306
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.000  0.368  0.636  1.0
  Ca  Ca1  1  0.000  0.567  0.911  1.0
  Ca  Ca2  1  0.000  0.632  0.364  1.0
  Ca  Ca3  1  0.000  0.433  0.089  1.0
  Ca  Ca4  1  0.000  0.132  0.136  1.0
  Ca  Ca5  1  0.000  0.868  0.864  1.0
  Ca  Ca6  1  0.500  0.500  0.500  1.0
  Ca  Ca7  1  0.500  1.000  1.000  1.0
  Ca  Ca8  1  0.500  0.709  0.101  1.0
  Ca  Ca9  1  0.500  0.291  0.899  1.0
  Ca  Ca10  1  0.500  0.209  0.399  1.0
  Ca  Ca11  1  0.500  0.791  0.601  1.0
  Ca  Ca12  1  0.000  0.875  0.234  1.0
  Ca  Ca13  1  0.000  0.125  0.766  1.0
  Ca  Ca14  1  0.000  0.375  0.266  1.0
  Ca  Ca15  1  0.000  0.625  0.734  1.0
  Ca  Ca16  1  0.000  0.933  0.411  1.0
  Ca  Ca17  1  0.000  0.067  0.589  1.0
  Cd  Cd18  1  0.500  0.731  0.953  1.0
  Cd  Cd19  1  0.500  0.269  0.047  1.0
  Cd  Cd20  1  0.500  0.231  0.547  1.0
  Cd  Cd21  1  0.500  0.769  0.453  1.0
  Cd  Cd22  1  0.500  0.614  0.260  1.0
  Cd  Cd23  1  0.500  0.114  0.240  1.0
  Cd  Cd24  1  0.500  0.386  0.740  1.0
  Cd  Cd25  1  0.500  0.886  0.760  1.0
  Bi  Bi26  1  0.500  0.816  0.328  1.0
  Bi  Bi27  1  0.500  0.184  0.672  1.0
  Bi  Bi28  1  0.500  0.316  0.172  1.0
  Bi  Bi29  1  0.500  0.684  0.828  1.0
  Bi  Bi30  1  0.500  0.955  0.144  1.0
  Bi  Bi31  1  0.500  0.045  0.856  1.0
  Bi  Bi32  1  0.500  0.455  0.356  1.0
  Bi  Bi33  1  0.500  0.545  0.644  1.0
  Bi  Bi34  1  0.000  0.618  0.187  1.0
  Bi  Bi35  1  0.000  0.382  0.813  1.0
  Bi  Bi36  1  0.000  0.118  0.313  1.0
  Bi  Bi37  1  0.000  0.882  0.687  1.0
  Bi  Bi38  1  0.000  0.818  0.011  1.0
  Bi  Bi39  1  0.000  0.182  0.989  1.0
  Bi  Bi40  1  0.000  0.318  0.489  1.0
  Bi  Bi41  1  0.000  0.682  0.511  1.0
  Bi  Bi42  1  0.500  1.000  0.500  1.0
  Bi  Bi43  1  0.500  0.500  1.000  1.0
[/CIF]
.