The material structure described by MgCo4(CuO4)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with three equivalent Cu(2)O5 square pyramids, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Co(3)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form CoO4 tetrahedra that share corners with three equivalent Cu(2)O5 square pyramids, corners with two equivalent Mg(1)O4 tetrahedra, and corners with six equivalent Co(2)O5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Co(3)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra,  an edgeedge with one Cu(2)O5 square pyramid,  an edgeedge with one Mg(1)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. In the third Co site, Co(3) is bonded to one O(2), one O(6), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Cu(2)O5 square pyramids, corners with four equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted CuO5 square pyramids that share corners with two equivalent Co(3)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(3), one Cu(1), and one Cu(2) atom to form distorted OMgCoCu2 tetrahedra that share  a cornercorner with one O(3)MgCo3 trigonal pyramid and edges with two equivalent O(1)MgCoCu2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form distorted corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Co(2), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   6.655
_cell_length_c   6.480
_cell_angle_alpha   53.085
_cell_angle_beta   103.545
_cell_angle_gamma   130.023
_symmetry_Int_Tables_number   1
_cell_volume   170.199
_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  0.034  0.543  0.423  1.0
  Co  Co1  1  0.001  0.022  0.977  1.0
  Co  Co2  1  0.571  0.239  0.675  1.0
  Co  Co3  1  0.279  0.486  0.235  1.0
  Co  Co4  1  0.085  0.754  0.675  1.0
  Cu  Cu5  1  0.633  0.241  0.127  1.0
  Cu  Cu6  1  0.636  0.749  0.615  1.0
  O  O7  1  0.879  0.228  0.361  1.0
  O  O8  1  0.361  0.204  0.435  1.0
  O  O9  1  0.892  0.298  0.811  1.0
  O  O10  1  0.880  0.730  0.390  1.0
  O  O11  1  0.868  0.728  0.871  1.0
  O  O12  1  0.401  0.261  0.871  1.0
  O  O13  1  0.411  0.760  0.361  1.0
  O  O14  1  0.345  0.789  0.867  1.0
[/CIF]
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The material structure described by MgCo4(CuO4)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with three equivalent Cu(2)O5 square pyramids, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Co(3)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form CoO4 tetrahedra that share corners with three equivalent Cu(2)O5 square pyramids, corners with two equivalent Mg(1)O4 tetrahedra, and corners with six equivalent Co(2)O5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Co(3)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra,  an edgeedge with one Cu(2)O5 square pyramid,  an edgeedge with one Mg(1)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. In the third Co site, Co(3) is bonded to one O(2), one O(6), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Cu(2)O5 square pyramids, corners with four equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted CuO5 square pyramids that share corners with two equivalent Co(3)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(3), one Cu(1), and one Cu(2) atom to form distorted OMgCoCu2 tetrahedra that share  a cornercorner with one O(3)MgCo3 trigonal pyramid and edges with two equivalent O(1)MgCoCu2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form distorted corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), two equivalent Co(2), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   6.655
_cell_length_c   6.480
_cell_angle_alpha   53.085
_cell_angle_beta   103.545
_cell_angle_gamma   130.023
_symmetry_Int_Tables_number   1
_cell_volume   170.199
_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  0.034  0.543  0.423  1.0
  Co  Co1  1  0.001  0.022  0.977  1.0
  Co  Co2  1  0.571  0.239  0.675  1.0
  Co  Co3  1  0.279  0.486  0.235  1.0
  Co  Co4  1  0.085  0.754  0.675  1.0
  Cu  Cu5  1  0.633  0.241  0.127  1.0
  Cu  Cu6  1  0.636  0.749  0.615  1.0
  O  O7  1  0.879  0.228  0.361  1.0
  O  O8  1  0.361  0.204  0.435  1.0
  O  O9  1  0.892  0.298  0.811  1.0
  O  O10  1  0.880  0.730  0.390  1.0
  O  O11  1  0.868  0.728  0.871  1.0
  O  O12  1  0.401  0.261  0.871  1.0
  O  O13  1  0.411  0.760  0.361  1.0
  O  O14  1  0.345  0.789  0.867  1.0
[/CIF]
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