The material described by CaCd3O4 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, and edges with eight equivalent Cd(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Cd(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Cd(1)O6 octahedra, and edges with four equivalent Cd(2)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Cd site, Cd(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CdO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, edges with four equivalent Cd(2)O6 octahedra, and edges with eight equivalent Cd(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Cd(2), and four equivalent Cd(1) atoms to form OCaCd5 octahedra that share corners with six equivalent O(1)CaCd5 octahedra, edges with four equivalent O(2)Ca4Cd2 octahedra, edges with four equivalent O(1)CaCd5 octahedra, and edges with four equivalent O(3)Cd6 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Cd(1) atoms to form OCa4Cd2 octahedra that share corners with two equivalent O(3)Cd6 octahedra, corners with four equivalent O(2)Ca4Cd2 octahedra, edges with four equivalent O(2)Ca4Cd2 octahedra, and edges with eight equivalent O(1)CaCd5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Cd(1) and four equivalent Cd(2) atoms to form OCd6 octahedra that share corners with two equivalent O(2)Ca4Cd2 octahedra, corners with four equivalent O(3)Cd6 octahedra, edges with four equivalent O(3)Cd6 octahedra, and edges with eight equivalent O(1)CaCd5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CaCd3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.360
_cell_length_b   3.360
_cell_length_c   9.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.527
_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  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.500  0.500  0.748  1.0
  Cd  Cd2  1  0.000  0.000  0.500  1.0
  Cd  Cd3  1  0.500  0.500  0.252  1.0
  O  O4  1  0.000  0.000  0.252  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.748  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by CaCd3O4 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, and edges with eight equivalent Cd(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Cd(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Cd(1)O6 octahedra, and edges with four equivalent Cd(2)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Cd site, Cd(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CdO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Cd(2)O6 octahedra, edges with four equivalent Cd(2)O6 octahedra, and edges with eight equivalent Cd(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Cd(2), and four equivalent Cd(1) atoms to form OCaCd5 octahedra that share corners with six equivalent O(1)CaCd5 octahedra, edges with four equivalent O(2)Ca4Cd2 octahedra, edges with four equivalent O(1)CaCd5 octahedra, and edges with four equivalent O(3)Cd6 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Cd(1) atoms to form OCa4Cd2 octahedra that share corners with two equivalent O(3)Cd6 octahedra, corners with four equivalent O(2)Ca4Cd2 octahedra, edges with four equivalent O(2)Ca4Cd2 octahedra, and edges with eight equivalent O(1)CaCd5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Cd(1) and four equivalent Cd(2) atoms to form OCd6 octahedra that share corners with two equivalent O(2)Ca4Cd2 octahedra, corners with four equivalent O(3)Cd6 octahedra, edges with four equivalent O(3)Cd6 octahedra, and edges with eight equivalent O(1)CaCd5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CaCd3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.360
_cell_length_b   3.360
_cell_length_c   9.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.527
_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  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.500  0.500  0.748  1.0
  Cd  Cd2  1  0.000  0.000  0.500  1.0
  Cd  Cd3  1  0.500  0.500  0.252  1.0
  O  O4  1  0.000  0.000  0.252  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.748  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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