The material described by Mg(CuO)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted bent 150 degrees geometry to three equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and one Cu(2) atom to form corner-sharing OMg3Cu tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.321
_cell_length_b   7.530
_cell_length_c   3.321
_cell_angle_alpha   72.411
_cell_angle_beta   66.820
_cell_angle_gamma   55.276
_symmetry_Int_Tables_number   1
_cell_volume   62.406
_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  0.151  0.176  0.328  1.0
  Cu  Cu1  1  0.085  0.803  0.888  1.0
  Cu  Cu2  1  0.020  0.549  0.569  1.0
  O  O3  1  0.421  0.247  0.667  1.0
  O  O4  1  0.573  0.850  0.423  1.0
[/CIF]
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The material described by Mg(CuO)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted bent 150 degrees geometry to three equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and one Cu(2) atom to form corner-sharing OMg3Cu tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.321
_cell_length_b   7.530
_cell_length_c   3.321
_cell_angle_alpha   72.411
_cell_angle_beta   66.820
_cell_angle_gamma   55.276
_symmetry_Int_Tables_number   1
_cell_volume   62.406
_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  0.151  0.176  0.328  1.0
  Cu  Cu1  1  0.085  0.803  0.888  1.0
  Cu  Cu2  1  0.020  0.549  0.569  1.0
  O  O3  1  0.421  0.247  0.667  1.0
  O  O4  1  0.573  0.850  0.423  1.0
[/CIF]
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