The structure described by MgCu2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OMg2Cu2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   5.865
_cell_angle_alpha   118.435
_cell_angle_beta   118.320
_cell_angle_gamma   92.834
_symmetry_Int_Tables_number   1
_cell_volume   145.962
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.136  0.886  0.250  1.0
  Cu  Cu3  1  0.864  0.114  0.750  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.738  0.258  0.020  1.0
  O  O7  1  0.718  0.243  0.476  1.0
  O  O8  1  0.738  0.717  0.480  1.0
  O  O9  1  0.267  0.243  0.024  1.0
  O  O10  1  0.733  0.757  0.976  1.0
  O  O11  1  0.282  0.757  0.524  1.0
  O  O12  1  0.262  0.283  0.520  1.0
  O  O13  1  0.262  0.742  0.980  1.0
[/CIF]
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The structure described by MgCu2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OMg2Cu2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   5.865
_cell_angle_alpha   118.435
_cell_angle_beta   118.320
_cell_angle_gamma   92.834
_symmetry_Int_Tables_number   1
_cell_volume   145.962
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.136  0.886  0.250  1.0
  Cu  Cu3  1  0.864  0.114  0.750  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.738  0.258  0.020  1.0
  O  O7  1  0.718  0.243  0.476  1.0
  O  O8  1  0.738  0.717  0.480  1.0
  O  O9  1  0.267  0.243  0.024  1.0
  O  O10  1  0.733  0.757  0.976  1.0
  O  O11  1  0.282  0.757  0.524  1.0
  O  O12  1  0.262  0.283  0.520  1.0
  O  O13  1  0.262  0.742  0.980  1.0
[/CIF]
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