The compound described by Mg(CuO)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent Cu(2) and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Cu(2), and two equivalent O(1) atoms. O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Mg(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.817
_cell_length_b   4.796
_cell_length_c   5.615
_cell_angle_alpha   90.474
_cell_angle_beta   90.029
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   75.861
_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  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  O  O3  1  0.500  0.492  0.254  1.0
  O  O4  1  0.500  0.508  0.746  1.0
[/CIF]
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The compound described by Mg(CuO)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent Cu(2) and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Cu(2), and two equivalent O(1) atoms. O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Mg(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.817
_cell_length_b   4.796
_cell_length_c   5.615
_cell_angle_alpha   90.474
_cell_angle_beta   90.029
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   75.861
_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  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  O  O3  1  0.500  0.492  0.254  1.0
  O  O4  1  0.500  0.508  0.746  1.0
[/CIF]
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