The material structure described by CaCd3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm 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 six equivalent Cd(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Cd(2)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 two equivalent O(2) 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(2) atoms to form CdO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Cd(2)O6 octahedra, and edges with eight equivalent Cd(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two 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(1)CaCd5 octahedra, and edges with eight equivalent O(2)Ca2Cd4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Cd(1), and two equivalent Cd(2) atoms to form OCa2Cd4 octahedra that share corners with six equivalent O(2)Ca2Cd4 octahedra, edges with four equivalent O(2)Ca2Cd4 octahedra, and edges with eight equivalent O(1)CaCd5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CaCd3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.370
_cell_length_b   5.790
_cell_length_c   5.790
_cell_angle_alpha   70.307
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.380
_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  0.500  0.500  1.0
  Cd  Cd1  1  0.500  0.500  0.000  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.751  0.751  1.0
  O  O5  1  0.500  0.749  0.251  1.0
  O  O6  1  0.500  0.251  0.749  1.0
  O  O7  1  0.000  0.249  0.249  1.0
[/CIF]
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The material structure described by CaCd3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm 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 six equivalent Cd(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Cd(2)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 two equivalent O(2) 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(2) atoms to form CdO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Cd(2)O6 octahedra, and edges with eight equivalent Cd(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two 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(1)CaCd5 octahedra, and edges with eight equivalent O(2)Ca2Cd4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Cd(1), and two equivalent Cd(2) atoms to form OCa2Cd4 octahedra that share corners with six equivalent O(2)Ca2Cd4 octahedra, edges with four equivalent O(2)Ca2Cd4 octahedra, and edges with eight equivalent O(1)CaCd5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CaCd3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.370
_cell_length_b   5.790
_cell_length_c   5.790
_cell_angle_alpha   70.307
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.380
_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  0.500  0.500  1.0
  Cd  Cd1  1  0.500  0.500  0.000  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.751  0.751  1.0
  O  O5  1  0.500  0.749  0.251  1.0
  O  O6  1  0.500  0.251  0.749  1.0
  O  O7  1  0.000  0.249  0.249  1.0
[/CIF]
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