The material structure described by Mg(CuO)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(1) and two equivalent Cu(1) atoms to form OMg4Cu2 octahedra that share corners with four equivalent O(1)Mg4Cu2 octahedra, corners with four equivalent O(2)Cu4 tetrahedra, and edges with four equivalent O(1)Mg4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Cu(1) atoms to form OCu4 tetrahedra that share corners with four equivalent O(1)Mg4Cu2 octahedra and corners with four equivalent O(2)Cu4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.940
_cell_length_b   2.940
_cell_length_c   7.174
_cell_angle_alpha   79.207
_cell_angle_beta   79.207
_cell_angle_gamma   90.132
_symmetry_Int_Tables_number   1
_cell_volume   59.801
_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  0.847  0.153  0.250  1.0
  Cu  Cu1  1  0.196  0.503  0.568  1.0
  Cu  Cu2  1  0.497  0.804  0.932  1.0
  O  O3  1  0.347  0.653  0.250  1.0
  O  O4  1  0.613  0.387  0.750  1.0
[/CIF]
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The material structure described by Mg(CuO)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(1) and two equivalent Cu(1) atoms to form OMg4Cu2 octahedra that share corners with four equivalent O(1)Mg4Cu2 octahedra, corners with four equivalent O(2)Cu4 tetrahedra, and edges with four equivalent O(1)Mg4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Cu(1) atoms to form OCu4 tetrahedra that share corners with four equivalent O(1)Mg4Cu2 octahedra and corners with four equivalent O(2)Cu4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.940
_cell_length_b   2.940
_cell_length_c   7.174
_cell_angle_alpha   79.207
_cell_angle_beta   79.207
_cell_angle_gamma   90.132
_symmetry_Int_Tables_number   1
_cell_volume   59.801
_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  0.847  0.153  0.250  1.0
  Cu  Cu1  1  0.196  0.503  0.568  1.0
  Cu  Cu2  1  0.497  0.804  0.932  1.0
  O  O3  1  0.347  0.653  0.250  1.0
  O  O4  1  0.613  0.387  0.750  1.0
[/CIF]
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