The compound described by MgCu6PbO8 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Pb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Cu(1) and one Pb(1) atom to form distorted OCu3Pb tetrahedra that share corners with six equivalent O(2)Cu3Pb tetrahedra, corners with four equivalent O(1)MgCu3Pb trigonal bipyramids, and edges with three equivalent O(1)MgCu3Pb trigonal bipyramids. In the second O site, O(1) is bonded to one Mg(1), three equivalent Cu(1), and one Pb(1) atom to form distorted OMgCu3Pb trigonal bipyramids that share corners with four equivalent O(2)Cu3Pb tetrahedra, corners with three equivalent O(1)MgCu3Pb trigonal bipyramids, edges with three equivalent O(2)Cu3Pb tetrahedra, and edges with three equivalent O(1)MgCu3Pb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu6PbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.916
_cell_length_b   6.916
_cell_length_c   6.916
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   233.905
_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  0.250  0.250  0.250  1.0
  Cu  Cu1  1  0.515  0.985  0.515  1.0
  Cu  Cu2  1  0.515  0.515  0.985  1.0
  Cu  Cu3  1  0.985  0.515  0.515  1.0
  Cu  Cu4  1  0.985  0.515  0.985  1.0
  Cu  Cu5  1  0.985  0.985  0.515  1.0
  Cu  Cu6  1  0.515  0.985  0.985  1.0
  Pb  Pb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.140  0.140  0.140  1.0
  O  O9  1  0.857  0.429  0.857  1.0
  O  O10  1  0.140  0.580  0.140  1.0
  O  O11  1  0.429  0.857  0.857  1.0
  O  O12  1  0.140  0.140  0.580  1.0
  O  O13  1  0.580  0.140  0.140  1.0
  O  O14  1  0.857  0.857  0.429  1.0
  O  O15  1  0.857  0.857  0.857  1.0
[/CIF]
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The compound described by MgCu6PbO8 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Pb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Cu(1) and one Pb(1) atom to form distorted OCu3Pb tetrahedra that share corners with six equivalent O(2)Cu3Pb tetrahedra, corners with four equivalent O(1)MgCu3Pb trigonal bipyramids, and edges with three equivalent O(1)MgCu3Pb trigonal bipyramids. In the second O site, O(1) is bonded to one Mg(1), three equivalent Cu(1), and one Pb(1) atom to form distorted OMgCu3Pb trigonal bipyramids that share corners with four equivalent O(2)Cu3Pb tetrahedra, corners with three equivalent O(1)MgCu3Pb trigonal bipyramids, edges with three equivalent O(2)Cu3Pb tetrahedra, and edges with three equivalent O(1)MgCu3Pb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu6PbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.916
_cell_length_b   6.916
_cell_length_c   6.916
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   233.905
_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  0.250  0.250  0.250  1.0
  Cu  Cu1  1  0.515  0.985  0.515  1.0
  Cu  Cu2  1  0.515  0.515  0.985  1.0
  Cu  Cu3  1  0.985  0.515  0.515  1.0
  Cu  Cu4  1  0.985  0.515  0.985  1.0
  Cu  Cu5  1  0.985  0.985  0.515  1.0
  Cu  Cu6  1  0.515  0.985  0.985  1.0
  Pb  Pb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.140  0.140  0.140  1.0
  O  O9  1  0.857  0.429  0.857  1.0
  O  O10  1  0.140  0.580  0.140  1.0
  O  O11  1  0.429  0.857  0.857  1.0
  O  O12  1  0.140  0.140  0.580  1.0
  O  O13  1  0.580  0.140  0.140  1.0
  O  O14  1  0.857  0.857  0.429  1.0
  O  O15  1  0.857  0.857  0.857  1.0
[/CIF]
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