The material described by MgCu2(PbO2)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_MgCu2(PbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.265
_cell_length_b   5.670
_cell_length_c   6.483
_cell_angle_alpha   64.186
_cell_angle_beta   60.747
_cell_angle_gamma   89.433
_symmetry_Int_Tables_number   1
_cell_volume   146.852
_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
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.779  0.309  0.380  1.0
  Pb  Pb4  1  0.221  0.691  0.620  1.0
  O  O5  1  0.630  0.158  0.171  1.0
  O  O6  1  0.370  0.842  0.829  1.0
  O  O7  1  0.631  0.673  0.173  1.0
  O  O8  1  0.369  0.327  0.827  1.0
[/CIF]
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The material described by MgCu2(PbO2)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_MgCu2(PbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.265
_cell_length_b   5.670
_cell_length_c   6.483
_cell_angle_alpha   64.186
_cell_angle_beta   60.747
_cell_angle_gamma   89.433
_symmetry_Int_Tables_number   1
_cell_volume   146.852
_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
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.779  0.309  0.380  1.0
  Pb  Pb4  1  0.221  0.691  0.620  1.0
  O  O5  1  0.630  0.158  0.171  1.0
  O  O6  1  0.370  0.842  0.829  1.0
  O  O7  1  0.631  0.673  0.173  1.0
  O  O8  1  0.369  0.327  0.827  1.0
[/CIF]
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