The crystal structure described by MgCu2(PdO2)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Pd(2) and four equivalent O(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Pd(1), one Pd(2), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_MgCu2(PdO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.783
_cell_length_b   5.281
_cell_length_c   4.720
_cell_angle_alpha   90.000
_cell_angle_beta   83.918
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.556
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Pd  Pd3  1  0.500  0.500  0.500  1.0
  Pd  Pd4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.241  0.752  0.757  1.0
  O  O6  1  0.759  0.752  0.243  1.0
  O  O7  1  0.759  0.248  0.243  1.0
  O  O8  1  0.241  0.248  0.757  1.0
[/CIF]
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The crystal structure described by MgCu2(PdO2)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Pd(2) and four equivalent O(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Pd(1), one Pd(2), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_MgCu2(PdO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.783
_cell_length_b   5.281
_cell_length_c   4.720
_cell_angle_alpha   90.000
_cell_angle_beta   83.918
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.556
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Pd  Pd3  1  0.500  0.500  0.500  1.0
  Pd  Pd4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.241  0.752  0.757  1.0
  O  O6  1  0.759  0.752  0.243  1.0
  O  O7  1  0.759  0.248  0.243  1.0
  O  O8  1  0.241  0.248  0.757  1.0
[/CIF]
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