The structure described by Ca3CdO4 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Ca(2)O6 octahedra, and edges with four equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ca site, Ca(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CaO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra, corners with four equivalent Ca(2)O6 octahedra, edges with four equivalent Ca(2)O6 octahedra, and edges with eight equivalent Ca(1)O6 octahedra. The corner-sharing octahedra are not tilted. Cd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CdO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, edges with four equivalent Cd(1)O6 octahedra, and edges with eight equivalent Ca(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(2), four equivalent Ca(1), and one Cd(1) atom to form OCa5Cd octahedra that share corners with six equivalent O(1)Ca5Cd octahedra, edges with four equivalent O(2)Ca2Cd4 octahedra, edges with four equivalent O(1)Ca5Cd octahedra, and edges with four equivalent O(3)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Ca(1) and four equivalent Cd(1) atoms to form OCa2Cd4 octahedra that share corners with two equivalent O(3)Ca6 octahedra, corners with four equivalent O(2)Ca2Cd4 octahedra, edges with four equivalent O(2)Ca2Cd4 octahedra, and edges with eight equivalent O(1)Ca5Cd octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form OCa6 octahedra that share corners with two equivalent O(2)Ca2Cd4 octahedra, corners with four equivalent O(3)Ca6 octahedra, edges with four equivalent O(3)Ca6 octahedra, and edges with eight equivalent O(1)Ca5Cd octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca3CdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.388
_cell_length_b   3.388
_cell_length_c   9.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.404
_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  0.500  0.754  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.246  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.000  0.250  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.750  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Ca3CdO4 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Ca(2)O6 octahedra, and edges with four equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ca site, Ca(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CaO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra, corners with four equivalent Ca(2)O6 octahedra, edges with four equivalent Ca(2)O6 octahedra, and edges with eight equivalent Ca(1)O6 octahedra. The corner-sharing octahedra are not tilted. Cd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CdO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, edges with four equivalent Cd(1)O6 octahedra, and edges with eight equivalent Ca(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(2), four equivalent Ca(1), and one Cd(1) atom to form OCa5Cd octahedra that share corners with six equivalent O(1)Ca5Cd octahedra, edges with four equivalent O(2)Ca2Cd4 octahedra, edges with four equivalent O(1)Ca5Cd octahedra, and edges with four equivalent O(3)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Ca(1) and four equivalent Cd(1) atoms to form OCa2Cd4 octahedra that share corners with two equivalent O(3)Ca6 octahedra, corners with four equivalent O(2)Ca2Cd4 octahedra, edges with four equivalent O(2)Ca2Cd4 octahedra, and edges with eight equivalent O(1)Ca5Cd octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form OCa6 octahedra that share corners with two equivalent O(2)Ca2Cd4 octahedra, corners with four equivalent O(3)Ca6 octahedra, edges with four equivalent O(3)Ca6 octahedra, and edges with eight equivalent O(1)Ca5Cd octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca3CdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.388
_cell_length_b   3.388
_cell_length_c   9.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.404
_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  0.500  0.754  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.246  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.000  0.250  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.750  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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