The material described by Mg6CdAlO8 is Molybdenum Carbide MAX Phase-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(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Mg(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. 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 Cd(1)O6 octahedra, corners with four equivalent Mg(2)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. 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 Al(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Cd(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CdO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, edges with four equivalent Al(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Al(1)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. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Al(1) atom to form OMg5Al octahedra that share corners with six equivalent O(1)Mg5Al octahedra, edges with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Cd(1) atom to form OMg5Cd octahedra that share corners with six equivalent O(2)Mg5Cd octahedra, edges with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent Mg(3), two equivalent Cd(1), and two equivalent Al(1) atoms to form OMg2Al2Cd2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(2)Mg5Cd octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Mg2Al2Cd2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)Mg5Al octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Mg6AlCdO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.708
_cell_length_b   4.399
_cell_length_c   4.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.555
_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  0.500  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.254  0.000  0.500  1.0
  Mg  Mg3  1  0.746  0.000  0.500  1.0
  Mg  Mg4  1  0.254  0.500  0.000  1.0
  Mg  Mg5  1  0.746  0.500  0.000  1.0
  Al  Al6  1  0.000  0.000  0.000  1.0
  Cd  Cd7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.232  0.000  0.000  1.0
  O  O9  1  0.768  0.000  0.000  1.0
  O  O10  1  0.269  0.500  0.500  1.0
  O  O11  1  0.731  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 material described by Mg6CdAlO8 is Molybdenum Carbide MAX Phase-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(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Mg(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. 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 Cd(1)O6 octahedra, corners with four equivalent Mg(2)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. 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 Al(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Cd(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CdO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Cd(1)O6 octahedra, edges with four equivalent Al(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Al(1)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. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Al(1) atom to form OMg5Al octahedra that share corners with six equivalent O(1)Mg5Al octahedra, edges with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Cd(1) atom to form OMg5Cd octahedra that share corners with six equivalent O(2)Mg5Cd octahedra, edges with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent Mg(3), two equivalent Cd(1), and two equivalent Al(1) atoms to form OMg2Al2Cd2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(3)Mg2Al2Cd2 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(2)Mg5Cd octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Mg2Al2Cd2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)Mg5Al octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Mg6AlCdO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.708
_cell_length_b   4.399
_cell_length_c   4.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.555
_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  0.500  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.254  0.000  0.500  1.0
  Mg  Mg3  1  0.746  0.000  0.500  1.0
  Mg  Mg4  1  0.254  0.500  0.000  1.0
  Mg  Mg5  1  0.746  0.500  0.000  1.0
  Al  Al6  1  0.000  0.000  0.000  1.0
  Cd  Cd7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.232  0.000  0.000  1.0
  O  O9  1  0.768  0.000  0.000  1.0
  O  O10  1  0.269  0.500  0.500  1.0
  O  O11  1  0.731  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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