The material structure described by MgFe5CuO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), one Fe(3), one Fe(4), and one Cu(1) atom to form OMgFe3Cu trigonal bipyramids that share  a cornercorner with one O(3)Fe3Cu tetrahedra, corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(5)MgFe4 trigonal bipyramid,  a cornercorner with one O(7)MgFe4 trigonal bipyramid, corners with four equivalent O(8)MgFe4 trigonal bipyramids,  an edgeedge with one O(3)Fe3Cu tetrahedra,  an edgeedge with one O(5)MgFe4 trigonal bipyramid,  an edgeedge with one O(7)MgFe4 trigonal bipyramid, edges with two equivalent O(2)MgFe3Cu trigonal bipyramids, and edges with two equivalent O(4)MgFe3Cu trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Fe(2), one Fe(3), one Fe(5), and one Cu(1) atom to form OMgFe3Cu trigonal bipyramids that share  a cornercorner with one O(3)Fe3Cu tetrahedra, corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(5)MgFe4 trigonal bipyramid,  a cornercorner with one O(8)MgFe4 trigonal bipyramid, corners with four equivalent O(7)MgFe4 trigonal bipyramids,  an edgeedge with one O(3)Fe3Cu tetrahedra,  an edgeedge with one O(5)MgFe4 trigonal bipyramid,  an edgeedge with one O(8)MgFe4 trigonal bipyramid, edges with two equivalent O(1)MgFe3Cu trigonal bipyramids, and edges with two equivalent O(4)MgFe3Cu trigonal bipyramids. In the third O site, O(3) is bonded to one Fe(2), one Fe(4), one Fe(5), and one Cu(1) atom to form distorted OFe3Cu tetrahedra that share corners with three equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(1)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(2)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(4)MgFe3Cu trigonal bipyramid, corners with two equivalent O(5)MgFe4 trigonal bipyramids, corners with two equivalent O(7)MgFe4 trigonal bipyramids, corners with two equivalent O(8)MgFe4 trigonal bipyramids,  an edgeedge with one O(1)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(2)MgFe3Cu trigonal bipyramid, and  an edgeedge with one O(4)MgFe3Cu trigonal bipyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(3), one Fe(4), one Fe(5), and one Cu(1) atom to form OMgFe3Cu trigonal bipyramids that share  a cornercorner with one O(3)Fe3Cu tetrahedra, corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(7)MgFe4 trigonal bipyramid,  a cornercorner with one O(8)MgFe4 trigonal bipyramid, corners with four equivalent O(5)MgFe4 trigonal bipyramids,  an edgeedge with one O(3)Fe3Cu tetrahedra,  an edgeedge with one O(7)MgFe4 trigonal bipyramid,  an edgeedge with one O(8)MgFe4 trigonal bipyramid, edges with two equivalent O(1)MgFe3Cu trigonal bipyramids, and edges with two equivalent O(2)MgFe3Cu trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom to form OMgFe4 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with two equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(1)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(2)MgFe3Cu trigonal bipyramid, corners with four equivalent O(4)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(6)Fe4 tetrahedra,  an edgeedge with one O(1)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(2)MgFe3Cu trigonal bipyramid, edges with two equivalent O(7)MgFe4 trigonal bipyramids, and edges with two equivalent O(8)MgFe4 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(2), one Fe(4), and one Fe(5) atom to form distorted OFe4 tetrahedra that share corners with three equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(5)MgFe4 trigonal bipyramid,  a cornercorner with one O(7)MgFe4 trigonal bipyramid,  a cornercorner with one O(8)MgFe4 trigonal bipyramid, corners with two equivalent O(1)MgFe3Cu trigonal bipyramids, corners with two equivalent O(2)MgFe3Cu trigonal bipyramids, corners with two equivalent O(4)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(5)MgFe4 trigonal bipyramid,  an edgeedge with one O(7)MgFe4 trigonal bipyramid, and  an edgeedge with one O(8)MgFe4 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(5) atom to form OMgFe4 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with two equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(1)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(4)MgFe3Cu trigonal bipyramid, corners with four equivalent O(2)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(6)Fe4 tetrahedra,  an edgeedge with one O(1)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(4)MgFe3Cu trigonal bipyramid, edges with two equivalent O(5)MgFe4 trigonal bipyramids, and edges with two equivalent O(8)MgFe4 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OMgFe4 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with two equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(2)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(4)MgFe3Cu trigonal bipyramid, corners with four equivalent O(1)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(6)Fe4 tetrahedra,  an edgeedge with one O(2)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(4)MgFe3Cu trigonal bipyramid, edges with two equivalent O(5)MgFe4 trigonal bipyramids, and edges with two equivalent O(7)MgFe4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.000
_cell_length_b   6.379
_cell_length_c   5.994
_cell_angle_alpha   62.736
_cell_angle_beta   59.782
_cell_angle_gamma   62.078
_symmetry_Int_Tables_number   1
_cell_volume   167.564
_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  0.132  0.609  0.132  1.0
  Fe  Fe1  1  0.958  0.083  0.969  1.0
  Fe  Fe2  1  0.128  0.629  0.623  1.0
  Fe  Fe3  1  0.619  0.130  0.620  1.0
  Fe  Fe4  1  0.622  0.629  0.128  1.0
  Fe  Fe5  1  0.623  0.628  0.624  1.0
  Cu  Cu6  1  0.283  0.158  0.276  1.0
  O  O7  1  0.368  0.411  0.365  1.0
  O  O8  1  0.374  0.405  0.851  1.0
  O  O9  1  0.395  0.814  0.400  1.0
  O  O10  1  0.855  0.408  0.368  1.0
  O  O11  1  0.387  0.847  0.885  1.0
  O  O12  1  0.856  0.442  0.852  1.0
  O  O13  1  0.879  0.849  0.392  1.0
  O  O14  1  0.886  0.842  0.890  1.0
[/CIF]
.
The material structure described by MgFe5CuO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), one Fe(3), one Fe(4), and one Cu(1) atom to form OMgFe3Cu trigonal bipyramids that share  a cornercorner with one O(3)Fe3Cu tetrahedra, corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(5)MgFe4 trigonal bipyramid,  a cornercorner with one O(7)MgFe4 trigonal bipyramid, corners with four equivalent O(8)MgFe4 trigonal bipyramids,  an edgeedge with one O(3)Fe3Cu tetrahedra,  an edgeedge with one O(5)MgFe4 trigonal bipyramid,  an edgeedge with one O(7)MgFe4 trigonal bipyramid, edges with two equivalent O(2)MgFe3Cu trigonal bipyramids, and edges with two equivalent O(4)MgFe3Cu trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Fe(2), one Fe(3), one Fe(5), and one Cu(1) atom to form OMgFe3Cu trigonal bipyramids that share  a cornercorner with one O(3)Fe3Cu tetrahedra, corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(5)MgFe4 trigonal bipyramid,  a cornercorner with one O(8)MgFe4 trigonal bipyramid, corners with four equivalent O(7)MgFe4 trigonal bipyramids,  an edgeedge with one O(3)Fe3Cu tetrahedra,  an edgeedge with one O(5)MgFe4 trigonal bipyramid,  an edgeedge with one O(8)MgFe4 trigonal bipyramid, edges with two equivalent O(1)MgFe3Cu trigonal bipyramids, and edges with two equivalent O(4)MgFe3Cu trigonal bipyramids. In the third O site, O(3) is bonded to one Fe(2), one Fe(4), one Fe(5), and one Cu(1) atom to form distorted OFe3Cu tetrahedra that share corners with three equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(1)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(2)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(4)MgFe3Cu trigonal bipyramid, corners with two equivalent O(5)MgFe4 trigonal bipyramids, corners with two equivalent O(7)MgFe4 trigonal bipyramids, corners with two equivalent O(8)MgFe4 trigonal bipyramids,  an edgeedge with one O(1)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(2)MgFe3Cu trigonal bipyramid, and  an edgeedge with one O(4)MgFe3Cu trigonal bipyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(3), one Fe(4), one Fe(5), and one Cu(1) atom to form OMgFe3Cu trigonal bipyramids that share  a cornercorner with one O(3)Fe3Cu tetrahedra, corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(7)MgFe4 trigonal bipyramid,  a cornercorner with one O(8)MgFe4 trigonal bipyramid, corners with four equivalent O(5)MgFe4 trigonal bipyramids,  an edgeedge with one O(3)Fe3Cu tetrahedra,  an edgeedge with one O(7)MgFe4 trigonal bipyramid,  an edgeedge with one O(8)MgFe4 trigonal bipyramid, edges with two equivalent O(1)MgFe3Cu trigonal bipyramids, and edges with two equivalent O(2)MgFe3Cu trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom to form OMgFe4 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with two equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(1)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(2)MgFe3Cu trigonal bipyramid, corners with four equivalent O(4)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(6)Fe4 tetrahedra,  an edgeedge with one O(1)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(2)MgFe3Cu trigonal bipyramid, edges with two equivalent O(7)MgFe4 trigonal bipyramids, and edges with two equivalent O(8)MgFe4 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(2), one Fe(4), and one Fe(5) atom to form distorted OFe4 tetrahedra that share corners with three equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(5)MgFe4 trigonal bipyramid,  a cornercorner with one O(7)MgFe4 trigonal bipyramid,  a cornercorner with one O(8)MgFe4 trigonal bipyramid, corners with two equivalent O(1)MgFe3Cu trigonal bipyramids, corners with two equivalent O(2)MgFe3Cu trigonal bipyramids, corners with two equivalent O(4)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(5)MgFe4 trigonal bipyramid,  an edgeedge with one O(7)MgFe4 trigonal bipyramid, and  an edgeedge with one O(8)MgFe4 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(5) atom to form OMgFe4 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with two equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(1)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(4)MgFe3Cu trigonal bipyramid, corners with four equivalent O(2)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(6)Fe4 tetrahedra,  an edgeedge with one O(1)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(4)MgFe3Cu trigonal bipyramid, edges with two equivalent O(5)MgFe4 trigonal bipyramids, and edges with two equivalent O(8)MgFe4 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OMgFe4 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with two equivalent O(3)Fe3Cu tetrahedra,  a cornercorner with one O(2)MgFe3Cu trigonal bipyramid,  a cornercorner with one O(4)MgFe3Cu trigonal bipyramid, corners with four equivalent O(1)MgFe3Cu trigonal bipyramids,  an edgeedge with one O(6)Fe4 tetrahedra,  an edgeedge with one O(2)MgFe3Cu trigonal bipyramid,  an edgeedge with one O(4)MgFe3Cu trigonal bipyramid, edges with two equivalent O(5)MgFe4 trigonal bipyramids, and edges with two equivalent O(7)MgFe4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.000
_cell_length_b   6.379
_cell_length_c   5.994
_cell_angle_alpha   62.736
_cell_angle_beta   59.782
_cell_angle_gamma   62.078
_symmetry_Int_Tables_number   1
_cell_volume   167.564
_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  0.132  0.609  0.132  1.0
  Fe  Fe1  1  0.958  0.083  0.969  1.0
  Fe  Fe2  1  0.128  0.629  0.623  1.0
  Fe  Fe3  1  0.619  0.130  0.620  1.0
  Fe  Fe4  1  0.622  0.629  0.128  1.0
  Fe  Fe5  1  0.623  0.628  0.624  1.0
  Cu  Cu6  1  0.283  0.158  0.276  1.0
  O  O7  1  0.368  0.411  0.365  1.0
  O  O8  1  0.374  0.405  0.851  1.0
  O  O9  1  0.395  0.814  0.400  1.0
  O  O10  1  0.855  0.408  0.368  1.0
  O  O11  1  0.387  0.847  0.885  1.0
  O  O12  1  0.856  0.442  0.852  1.0
  O  O13  1  0.879  0.849  0.392  1.0
  O  O14  1  0.886  0.842  0.890  1.0
[/CIF]
.