The structure described by CuOMgO crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to six O(1,1,1) atoms to form MgO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Cu(1) is bonded to six O(1,1) atoms to form distorted CuO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   5.613
_cell_length_c   5.613
_cell_angle_alpha   137.763
_cell_angle_beta   137.763
_cell_angle_gamma   61.266
_symmetry_Int_Tables_number   1
_cell_volume   78.993
_cell_formula_units_Z   2
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  0.250  0.750  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.732  0.732  0.000  1.0
  O  O5  1  0.268  0.268  0.000  1.0
  O  O6  1  0.482  0.982  0.500  1.0
  O  O7  1  0.018  0.518  0.500  1.0
[/CIF]
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The structure described by CuOMgO crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to six O(1,1,1) atoms to form MgO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Cu(1) is bonded to six O(1,1) atoms to form distorted CuO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   5.613
_cell_length_c   5.613
_cell_angle_alpha   137.763
_cell_angle_beta   137.763
_cell_angle_gamma   61.266
_symmetry_Int_Tables_number   1
_cell_volume   78.993
_cell_formula_units_Z   2
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  0.250  0.750  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.732  0.732  0.000  1.0
  O  O5  1  0.268  0.268  0.000  1.0
  O  O6  1  0.482  0.982  0.500  1.0
  O  O7  1  0.018  0.518  0.500  1.0
[/CIF]
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