The compound described by MgCo5CuO8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMgCo3Cu trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(2), one Co(3), one Co(4), and one Cu(1) atom to form a mixture of corner and edge-sharing OMgCo3Cu square pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(2), one Co(4), and one Cu(1) atom to form a mixture of corner and edge-sharing OMgCo3Cu square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.948
_cell_length_b   6.400
_cell_length_c   5.793
_cell_angle_alpha   63.199
_cell_angle_beta   89.874
_cell_angle_gamma   122.466
_symmetry_Int_Tables_number   1
_cell_volume   157.091
_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  0.125  0.750  0.125  1.0
  Co  Co1  1  0.625  0.250  0.125  1.0
  Co  Co2  1  0.955  0.047  0.977  1.0
  Co  Co3  1  0.625  0.250  0.625  1.0
  Co  Co4  1  0.295  0.453  0.273  1.0
  Co  Co5  1  0.125  0.750  0.625  1.0
  Cu  Cu6  1  0.625  0.750  0.625  1.0
  O  O7  1  0.919  0.306  0.347  1.0
  O  O8  1  0.373  0.193  0.404  1.0
  O  O9  1  0.877  0.307  0.846  1.0
  O  O10  1  0.853  0.727  0.384  1.0
  O  O11  1  0.331  0.194  0.903  1.0
  O  O12  1  0.850  0.726  0.891  1.0
  O  O13  1  0.400  0.774  0.359  1.0
  O  O14  1  0.397  0.773  0.866  1.0
[/CIF]
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The compound described by MgCo5CuO8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMgCo3Cu trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(2), one Co(3), one Co(4), and one Cu(1) atom to form a mixture of corner and edge-sharing OMgCo3Cu square pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(2), one Co(4), and one Cu(1) atom to form a mixture of corner and edge-sharing OMgCo3Cu square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.948
_cell_length_b   6.400
_cell_length_c   5.793
_cell_angle_alpha   63.199
_cell_angle_beta   89.874
_cell_angle_gamma   122.466
_symmetry_Int_Tables_number   1
_cell_volume   157.091
_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  0.125  0.750  0.125  1.0
  Co  Co1  1  0.625  0.250  0.125  1.0
  Co  Co2  1  0.955  0.047  0.977  1.0
  Co  Co3  1  0.625  0.250  0.625  1.0
  Co  Co4  1  0.295  0.453  0.273  1.0
  Co  Co5  1  0.125  0.750  0.625  1.0
  Cu  Cu6  1  0.625  0.750  0.625  1.0
  O  O7  1  0.919  0.306  0.347  1.0
  O  O8  1  0.373  0.193  0.404  1.0
  O  O9  1  0.877  0.307  0.846  1.0
  O  O10  1  0.853  0.727  0.384  1.0
  O  O11  1  0.331  0.194  0.903  1.0
  O  O12  1  0.850  0.726  0.891  1.0
  O  O13  1  0.400  0.774  0.359  1.0
  O  O14  1  0.397  0.773  0.866  1.0
[/CIF]
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