The crystal structure described by Sr3IrCdO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Cd(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Sr(1), one Ir(1), and one Cd(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4CdIr octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the CIF file [CIF]
data_Sr3CdIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.864
_cell_length_b   6.864
_cell_length_c   6.864
_cell_angle_alpha   90.047
_cell_angle_beta   90.047
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   323.349
_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
  Sr  Sr0  1  0.750  0.388  0.112  1.0
  Sr  Sr1  1  0.112  0.750  0.388  1.0
  Sr  Sr2  1  0.250  0.612  0.888  1.0
  Sr  Sr3  1  0.388  0.112  0.750  1.0
  Sr  Sr4  1  0.612  0.888  0.250  1.0
  Sr  Sr5  1  0.888  0.250  0.612  1.0
  Cd  Cd6  1  0.250  0.250  0.250  1.0
  Cd  Cd7  1  0.750  0.750  0.750  1.0
  Ir  Ir8  1  0.500  0.500  0.500  1.0
  Ir  Ir9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.084  0.283  0.948  1.0
  O  O11  1  0.948  0.084  0.283  1.0
  O  O12  1  0.283  0.948  0.084  1.0
  O  O13  1  0.416  0.552  0.217  1.0
  O  O14  1  0.217  0.416  0.552  1.0
  O  O15  1  0.552  0.217  0.416  1.0
  O  O16  1  0.916  0.717  0.052  1.0
  O  O17  1  0.052  0.916  0.717  1.0
  O  O18  1  0.717  0.052  0.916  1.0
  O  O19  1  0.584  0.448  0.783  1.0
  O  O20  1  0.448  0.783  0.584  1.0
  O  O21  1  0.783  0.584  0.448  1.0
[/CIF]
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The crystal structure described by Sr3IrCdO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Cd(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Sr(1), one Ir(1), and one Cd(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4CdIr octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the CIF file [CIF]
data_Sr3CdIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.864
_cell_length_b   6.864
_cell_length_c   6.864
_cell_angle_alpha   90.047
_cell_angle_beta   90.047
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   323.349
_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
  Sr  Sr0  1  0.750  0.388  0.112  1.0
  Sr  Sr1  1  0.112  0.750  0.388  1.0
  Sr  Sr2  1  0.250  0.612  0.888  1.0
  Sr  Sr3  1  0.388  0.112  0.750  1.0
  Sr  Sr4  1  0.612  0.888  0.250  1.0
  Sr  Sr5  1  0.888  0.250  0.612  1.0
  Cd  Cd6  1  0.250  0.250  0.250  1.0
  Cd  Cd7  1  0.750  0.750  0.750  1.0
  Ir  Ir8  1  0.500  0.500  0.500  1.0
  Ir  Ir9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.084  0.283  0.948  1.0
  O  O11  1  0.948  0.084  0.283  1.0
  O  O12  1  0.283  0.948  0.084  1.0
  O  O13  1  0.416  0.552  0.217  1.0
  O  O14  1  0.217  0.416  0.552  1.0
  O  O15  1  0.552  0.217  0.416  1.0
  O  O16  1  0.916  0.717  0.052  1.0
  O  O17  1  0.052  0.916  0.717  1.0
  O  O18  1  0.717  0.052  0.916  1.0
  O  O19  1  0.584  0.448  0.783  1.0
  O  O20  1  0.448  0.783  0.584  1.0
  O  O21  1  0.783  0.584  0.448  1.0
[/CIF]
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