The compound described by MgCo4(CuO4)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the third Co site, Co(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the fourth Co site, Co(4) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OMgCo2Cu tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(4), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMgCo2Cu tetrahedra. In the eighth O site, O(8) is bonded to one Mg(1), one Co(3), one Co(4), and one Cu(3) atom to form distorted edge-sharing OMgCo2Cu tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Co(2), one Co(3), and one Cu(1) atom to form distorted edge-sharing OMgCo2Cu trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.296
_cell_length_b   6.290
_cell_length_c   6.227
_cell_angle_alpha   109.412
_cell_angle_beta   109.146
_cell_angle_gamma   110.060
_symmetry_Int_Tables_number   1
_cell_volume   189.330
_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  0.915  0.958  0.945  1.0
  Co  Co1  1  0.987  0.993  0.475  1.0
  Co  Co2  1  0.987  0.494  0.974  1.0
  Co  Co3  1  0.478  0.484  0.464  1.0
  Co  Co4  1  0.476  0.993  0.973  1.0
  Cu  Cu5  1  0.486  0.494  0.972  1.0
  Cu  Cu6  1  0.982  0.490  0.472  1.0
  Cu  Cu7  1  0.485  0.991  0.474  1.0
  O  O8  1  0.803  0.303  0.105  1.0
  O  O9  1  0.163  0.674  0.837  1.0
  O  O10  1  0.820  0.693  0.509  1.0
  O  O11  1  0.305  0.477  0.156  1.0
  O  O12  1  0.470  0.162  0.281  1.0
  O  O13  1  0.120  0.819  0.287  1.0
  O  O14  1  0.684  0.859  0.145  1.0
  O  O15  1  0.506  0.823  0.672  1.0
  O  O16  1  0.145  0.288  0.435  1.0
  O  O17  1  0.671  0.518  0.791  1.0
  O  O18  1  0.850  0.160  0.665  1.0
  O  O19  1  0.291  0.129  0.795  1.0
[/CIF]
.
The compound described by MgCo4(CuO4)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the third Co site, Co(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the fourth Co site, Co(4) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OMgCo2Cu tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(4), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMgCo2Cu tetrahedra. In the eighth O site, O(8) is bonded to one Mg(1), one Co(3), one Co(4), and one Cu(3) atom to form distorted edge-sharing OMgCo2Cu tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Co(2), one Co(3), and one Cu(1) atom to form distorted edge-sharing OMgCo2Cu trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.296
_cell_length_b   6.290
_cell_length_c   6.227
_cell_angle_alpha   109.412
_cell_angle_beta   109.146
_cell_angle_gamma   110.060
_symmetry_Int_Tables_number   1
_cell_volume   189.330
_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  0.915  0.958  0.945  1.0
  Co  Co1  1  0.987  0.993  0.475  1.0
  Co  Co2  1  0.987  0.494  0.974  1.0
  Co  Co3  1  0.478  0.484  0.464  1.0
  Co  Co4  1  0.476  0.993  0.973  1.0
  Cu  Cu5  1  0.486  0.494  0.972  1.0
  Cu  Cu6  1  0.982  0.490  0.472  1.0
  Cu  Cu7  1  0.485  0.991  0.474  1.0
  O  O8  1  0.803  0.303  0.105  1.0
  O  O9  1  0.163  0.674  0.837  1.0
  O  O10  1  0.820  0.693  0.509  1.0
  O  O11  1  0.305  0.477  0.156  1.0
  O  O12  1  0.470  0.162  0.281  1.0
  O  O13  1  0.120  0.819  0.287  1.0
  O  O14  1  0.684  0.859  0.145  1.0
  O  O15  1  0.506  0.823  0.672  1.0
  O  O16  1  0.145  0.288  0.435  1.0
  O  O17  1  0.671  0.518  0.791  1.0
  O  O18  1  0.850  0.160  0.665  1.0
  O  O19  1  0.291  0.129  0.795  1.0
[/CIF]
.