The structure described by MgCu2O4 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(14), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(12), two equivalent O(13), and two equivalent O(4) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(15), and two equivalent O(9) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(16), and two equivalent O(2) atoms. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(13), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the fifth Cu site, Cu(5) is bonded to one O(4), one O(8), two equivalent O(15), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the sixth Cu site, Cu(6) is bonded to one O(3), one O(7), two equivalent O(16), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the seventh Cu site, Cu(7) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the eighth Cu site, Cu(8) is bonded to one O(1), one O(5), two equivalent O(13), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(3), one Cu(8), and two equivalent Cu(7) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(4), one Cu(7), and two equivalent Cu(8) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one Cu(6), and two equivalent Cu(5) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(2), one Cu(5), and two equivalent Cu(6) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(2), one Mg(4), one Cu(8), and two equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(3), one Cu(7), and two equivalent Cu(3) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Mg(2), one Mg(4), one Cu(6), and two equivalent Cu(4) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mg(3), one Cu(5), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the ninth O site, O(9) is bonded to two equivalent Mg(3), one Cu(1), and two equivalent Cu(4) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the tenth O site, O(10) is bonded to two equivalent Mg(4), one Cu(4), and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the eleventh O site, O(11) is bonded to two equivalent Mg(1), one Cu(3), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Mg(2), one Cu(2), and two equivalent Cu(3) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the thirteenth O site, O(13) is bonded to two equivalent Mg(2), one Cu(4), and two equivalent Cu(8) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fourteenth O site, O(14) is bonded to two equivalent Mg(1), one Cu(1), and two equivalent Cu(7) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fifteenth O site, O(15) is bonded to two equivalent Mg(3), one Cu(3), and two equivalent Cu(5) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the sixteenth O site, O(16) is bonded to two equivalent Mg(4), one Cu(2), and two equivalent Cu(6) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.917
_cell_length_b   8.733
_cell_length_c   10.293
_cell_angle_alpha   90.006
_cell_angle_beta   89.967
_cell_angle_gamma   89.951
_symmetry_Int_Tables_number   1
_cell_volume   262.200
_cell_formula_units_Z   4
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  0.750  0.240  0.338  1.0
  Mg  Mg1  1  0.250  0.760  0.661  1.0
  Mg  Mg2  1  0.744  0.742  0.159  1.0
  Mg  Mg3  1  0.255  0.259  0.836  1.0
  Cu  Cu4  1  0.248  0.413  0.101  1.0
  Cu  Cu5  1  0.754  0.087  0.600  1.0
  Cu  Cu6  1  0.255  0.913  0.398  1.0
  Cu  Cu7  1  0.748  0.587  0.898  1.0
  Cu  Cu8  1  0.749  0.560  0.384  1.0
  Cu  Cu9  1  0.247  0.442  0.615  1.0
  Cu  Cu10  1  0.755  0.061  0.114  1.0
  Cu  Cu11  1  0.257  0.940  0.884  1.0
  O  O12  1  0.255  0.904  0.072  1.0
  O  O13  1  0.757  0.099  0.926  1.0
  O  O14  1  0.247  0.403  0.426  1.0
  O  O15  1  0.742  0.599  0.573  1.0
  O  O16  1  0.254  0.030  0.715  1.0
  O  O17  1  0.756  0.975  0.283  1.0
  O  O18  1  0.250  0.526  0.784  1.0
  O  O19  1  0.748  0.472  0.216  1.0
  O  O20  1  0.244  0.624  0.036  1.0
  O  O21  1  0.744  0.377  0.964  1.0
  O  O22  1  0.254  0.123  0.464  1.0
  O  O23  1  0.756  0.876  0.536  1.0
  O  O24  1  0.758  0.789  0.821  1.0
  O  O25  1  0.254  0.210  0.176  1.0
  O  O26  1  0.249  0.710  0.321  1.0
  O  O27  1  0.750  0.291  0.675  1.0
[/CIF]
.
The structure described by MgCu2O4 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(14), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(12), two equivalent O(13), and two equivalent O(4) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(15), and two equivalent O(9) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(16), and two equivalent O(2) atoms. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(13), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the fifth Cu site, Cu(5) is bonded to one O(4), one O(8), two equivalent O(15), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the sixth Cu site, Cu(6) is bonded to one O(3), one O(7), two equivalent O(16), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the seventh Cu site, Cu(7) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the eighth Cu site, Cu(8) is bonded to one O(1), one O(5), two equivalent O(13), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(3), one Cu(8), and two equivalent Cu(7) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(4), one Cu(7), and two equivalent Cu(8) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one Cu(6), and two equivalent Cu(5) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(2), one Cu(5), and two equivalent Cu(6) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(2), one Mg(4), one Cu(8), and two equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(3), one Cu(7), and two equivalent Cu(3) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Mg(2), one Mg(4), one Cu(6), and two equivalent Cu(4) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mg(3), one Cu(5), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the ninth O site, O(9) is bonded to two equivalent Mg(3), one Cu(1), and two equivalent Cu(4) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the tenth O site, O(10) is bonded to two equivalent Mg(4), one Cu(4), and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the eleventh O site, O(11) is bonded to two equivalent Mg(1), one Cu(3), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Mg(2), one Cu(2), and two equivalent Cu(3) atoms to form a mixture of edge and corner-sharing OMg2Cu3 square pyramids. In the thirteenth O site, O(13) is bonded to two equivalent Mg(2), one Cu(4), and two equivalent Cu(8) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fourteenth O site, O(14) is bonded to two equivalent Mg(1), one Cu(1), and two equivalent Cu(7) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the fifteenth O site, O(15) is bonded to two equivalent Mg(3), one Cu(3), and two equivalent Cu(5) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. In the sixteenth O site, O(16) is bonded to two equivalent Mg(4), one Cu(2), and two equivalent Cu(6) atoms to form a mixture of distorted edge and corner-sharing OMg2Cu3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.917
_cell_length_b   8.733
_cell_length_c   10.293
_cell_angle_alpha   90.006
_cell_angle_beta   89.967
_cell_angle_gamma   89.951
_symmetry_Int_Tables_number   1
_cell_volume   262.200
_cell_formula_units_Z   4
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  0.750  0.240  0.338  1.0
  Mg  Mg1  1  0.250  0.760  0.661  1.0
  Mg  Mg2  1  0.744  0.742  0.159  1.0
  Mg  Mg3  1  0.255  0.259  0.836  1.0
  Cu  Cu4  1  0.248  0.413  0.101  1.0
  Cu  Cu5  1  0.754  0.087  0.600  1.0
  Cu  Cu6  1  0.255  0.913  0.398  1.0
  Cu  Cu7  1  0.748  0.587  0.898  1.0
  Cu  Cu8  1  0.749  0.560  0.384  1.0
  Cu  Cu9  1  0.247  0.442  0.615  1.0
  Cu  Cu10  1  0.755  0.061  0.114  1.0
  Cu  Cu11  1  0.257  0.940  0.884  1.0
  O  O12  1  0.255  0.904  0.072  1.0
  O  O13  1  0.757  0.099  0.926  1.0
  O  O14  1  0.247  0.403  0.426  1.0
  O  O15  1  0.742  0.599  0.573  1.0
  O  O16  1  0.254  0.030  0.715  1.0
  O  O17  1  0.756  0.975  0.283  1.0
  O  O18  1  0.250  0.526  0.784  1.0
  O  O19  1  0.748  0.472  0.216  1.0
  O  O20  1  0.244  0.624  0.036  1.0
  O  O21  1  0.744  0.377  0.964  1.0
  O  O22  1  0.254  0.123  0.464  1.0
  O  O23  1  0.756  0.876  0.536  1.0
  O  O24  1  0.758  0.789  0.821  1.0
  O  O25  1  0.254  0.210  0.176  1.0
  O  O26  1  0.249  0.710  0.321  1.0
  O  O27  1  0.750  0.291  0.675  1.0
[/CIF]
.