The crystal structure described by Ca4Au5Cd3 crystallizes in the monoclinic Pm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one Au(1), one Au(5), two equivalent Au(3), and two equivalent Au(4) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Au(2), one Au(5), two equivalent Au(3), and two equivalent Au(4) atoms. In the third Ca site, Ca(3) is bonded in a 10-coordinate geometry to one Au(3), two equivalent Au(1), two equivalent Au(2), two equivalent Au(5), one Cd(2), and two equivalent Cd(1) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Au(4), two equivalent Au(1), two equivalent Au(2), and two equivalent Au(5) atoms. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(3), two equivalent Ca(4), one Au(5), one Cd(1), and two equivalent Cd(3) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to one Ca(2), two equivalent Ca(3), two equivalent Ca(4), one Au(5), one Cd(1), and two equivalent Cd(2) atoms. In the third Au site, Au(3) is bonded in a 9-coordinate geometry to one Ca(3), two equivalent Ca(1), two equivalent Ca(2), one Cd(2), one Cd(3), and two equivalent Cd(1) atoms. In the fourth Au site, Au(4) is bonded in a 7-coordinate geometry to one Ca(4), two equivalent Ca(1), two equivalent Ca(2), two equivalent Au(5), one Cd(2), and one Cd(3) atom. In the fifth Au site, Au(5) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), two equivalent Ca(4), one Au(1), one Au(2), two equivalent Au(4), and two equivalent Cd(2) atoms to form distorted face-sharing AuCa6Cd2Au4 cuboctahedra. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ca(3), one Au(1), one Au(2), and two equivalent Au(3) atoms. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one Ca(3), one Au(3), one Au(4), two equivalent Au(2), and two equivalent Au(5) atoms. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to one Au(3), one Au(4), and two equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Ca4Cd3Au5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.251
_cell_length_b   7.410
_cell_length_c   8.856
_cell_angle_alpha   90.266
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.938
_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
  Ca  Ca0  1  0.500  0.543  0.815  1.0
  Ca  Ca1  1  0.500  0.039  0.676  1.0
  Ca  Ca2  1  0.000  0.464  0.193  1.0
  Ca  Ca3  1  0.000  0.942  0.325  1.0
  Cd  Cd4  1  0.500  0.144  0.063  1.0
  Cd  Cd5  1  0.000  0.364  0.560  1.0
  Cd  Cd6  1  0.000  0.863  0.937  1.0
  Au  Au7  1  0.500  0.750  0.124  1.0
  Au  Au8  1  0.500  0.245  0.371  1.0
  Au  Au9  1  0.000  0.251  0.868  1.0
  Au  Au10  1  0.000  0.747  0.634  1.0
  Au  Au11  1  0.500  0.647  0.433  1.0
[/CIF]
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The crystal structure described by Ca4Au5Cd3 crystallizes in the monoclinic Pm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one Au(1), one Au(5), two equivalent Au(3), and two equivalent Au(4) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Au(2), one Au(5), two equivalent Au(3), and two equivalent Au(4) atoms. In the third Ca site, Ca(3) is bonded in a 10-coordinate geometry to one Au(3), two equivalent Au(1), two equivalent Au(2), two equivalent Au(5), one Cd(2), and two equivalent Cd(1) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Au(4), two equivalent Au(1), two equivalent Au(2), and two equivalent Au(5) atoms. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(3), two equivalent Ca(4), one Au(5), one Cd(1), and two equivalent Cd(3) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to one Ca(2), two equivalent Ca(3), two equivalent Ca(4), one Au(5), one Cd(1), and two equivalent Cd(2) atoms. In the third Au site, Au(3) is bonded in a 9-coordinate geometry to one Ca(3), two equivalent Ca(1), two equivalent Ca(2), one Cd(2), one Cd(3), and two equivalent Cd(1) atoms. In the fourth Au site, Au(4) is bonded in a 7-coordinate geometry to one Ca(4), two equivalent Ca(1), two equivalent Ca(2), two equivalent Au(5), one Cd(2), and one Cd(3) atom. In the fifth Au site, Au(5) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), two equivalent Ca(4), one Au(1), one Au(2), two equivalent Au(4), and two equivalent Cd(2) atoms to form distorted face-sharing AuCa6Cd2Au4 cuboctahedra. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ca(3), one Au(1), one Au(2), and two equivalent Au(3) atoms. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one Ca(3), one Au(3), one Au(4), two equivalent Au(2), and two equivalent Au(5) atoms. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to one Au(3), one Au(4), and two equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Ca4Cd3Au5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.251
_cell_length_b   7.410
_cell_length_c   8.856
_cell_angle_alpha   90.266
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.938
_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
  Ca  Ca0  1  0.500  0.543  0.815  1.0
  Ca  Ca1  1  0.500  0.039  0.676  1.0
  Ca  Ca2  1  0.000  0.464  0.193  1.0
  Ca  Ca3  1  0.000  0.942  0.325  1.0
  Cd  Cd4  1  0.500  0.144  0.063  1.0
  Cd  Cd5  1  0.000  0.364  0.560  1.0
  Cd  Cd6  1  0.000  0.863  0.937  1.0
  Au  Au7  1  0.500  0.750  0.124  1.0
  Au  Au8  1  0.500  0.245  0.371  1.0
  Au  Au9  1  0.000  0.251  0.868  1.0
  Au  Au10  1  0.000  0.747  0.634  1.0
  Au  Au11  1  0.500  0.647  0.433  1.0
[/CIF]
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