The structure described by Mg6CdZnO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Cd(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Cd(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Cd(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CdO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Zn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3), one Cd(1), and one Zn(1) atom to form OMg4ZnCd octahedra that share corners with six equivalent O(1)Mg4ZnCd octahedra, edges with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(3)Mg4Zn2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(3)Mg4Zn2 octahedra, and edges with four equivalent O(1)Mg4ZnCd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Zn(1) atoms to form OMg4Zn2 octahedra that share corners with two equivalent O(4)Mg4Cd2 octahedra, corners with four equivalent O(3)Mg4Zn2 octahedra, edges with four equivalent O(3)Mg4Zn2 octahedra, edges with four equivalent O(1)Mg4ZnCd octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Cd(1) atoms to form OMg4Cd2 octahedra that share corners with two equivalent O(3)Mg4Zn2 octahedra, corners with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(1)Mg4ZnCd octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6ZnCdO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.684
_cell_length_b   4.380
_cell_length_c   4.380
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.563
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.243  0.000  0.500  1.0
  Mg  Mg3  1  0.757  0.000  0.500  1.0
  Mg  Mg4  1  0.243  0.500  0.000  1.0
  Mg  Mg5  1  0.757  0.500  0.000  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Cd  Cd7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.235  0.000  0.000  1.0
  O  O9  1  0.765  0.000  0.000  1.0
  O  O10  1  0.249  0.500  0.500  1.0
  O  O11  1  0.751  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Mg6CdZnO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Cd(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Cd(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Cd(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CdO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Zn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3), one Cd(1), and one Zn(1) atom to form OMg4ZnCd octahedra that share corners with six equivalent O(1)Mg4ZnCd octahedra, edges with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(3)Mg4Zn2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(3)Mg4Zn2 octahedra, and edges with four equivalent O(1)Mg4ZnCd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Zn(1) atoms to form OMg4Zn2 octahedra that share corners with two equivalent O(4)Mg4Cd2 octahedra, corners with four equivalent O(3)Mg4Zn2 octahedra, edges with four equivalent O(3)Mg4Zn2 octahedra, edges with four equivalent O(1)Mg4ZnCd octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Cd(1) atoms to form OMg4Cd2 octahedra that share corners with two equivalent O(3)Mg4Zn2 octahedra, corners with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(4)Mg4Cd2 octahedra, edges with four equivalent O(1)Mg4ZnCd octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6ZnCdO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.684
_cell_length_b   4.380
_cell_length_c   4.380
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.563
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.243  0.000  0.500  1.0
  Mg  Mg3  1  0.757  0.000  0.500  1.0
  Mg  Mg4  1  0.243  0.500  0.000  1.0
  Mg  Mg5  1  0.757  0.500  0.000  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Cd  Cd7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.235  0.000  0.000  1.0
  O  O9  1  0.765  0.000  0.000  1.0
  O  O10  1  0.249  0.500  0.500  1.0
  O  O11  1  0.751  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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