The structure described by MgMn4(CuO4)2 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 edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Cu(1) is bonded in a linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Cu(1) atom to form OMn3Cu trigonal pyramids that share corners with three equivalent O(4)MgMn3Cu trigonal bipyramids, corners with three equivalent O(2)Mn3Cu trigonal pyramids, and  an edgeedge with one O(4)MgMn3Cu trigonal bipyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(3), one Mn(4), and one Cu(1) atom to form distorted OMgMn3Cu trigonal bipyramids that share corners with four equivalent O(4)MgMn3Cu trigonal bipyramids, corners with three equivalent O(2)Mn3Cu trigonal pyramids, and  an edgeedge with one O(2)Mn3Cu trigonal pyramid. is represented by the CIF file [CIF]
data_MgMn4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.115
_cell_length_c   6.630
_cell_angle_alpha   60.812
_cell_angle_beta   58.663
_cell_angle_gamma   60.548
_symmetry_Int_Tables_number   1
_cell_volume   175.311
_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  0.000  1.000  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.043  0.191  0.004  1.0
  Cu  Cu6  1  0.957  0.809  0.996  1.0
  O  O7  1  0.744  0.758  0.688  1.0
  O  O8  1  0.303  0.241  0.696  1.0
  O  O9  1  0.255  0.700  0.313  1.0
  O  O10  1  0.743  0.221  0.288  1.0
  O  O11  1  0.745  0.300  0.687  1.0
  O  O12  1  0.257  0.778  0.712  1.0
  O  O13  1  0.256  0.242  0.312  1.0
  O  O14  1  0.697  0.759  0.304  1.0
[/CIF]
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The structure described by MgMn4(CuO4)2 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 edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Cu(1) is bonded in a linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Cu(1) atom to form OMn3Cu trigonal pyramids that share corners with three equivalent O(4)MgMn3Cu trigonal bipyramids, corners with three equivalent O(2)Mn3Cu trigonal pyramids, and  an edgeedge with one O(4)MgMn3Cu trigonal bipyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(3), one Mn(4), and one Cu(1) atom to form distorted OMgMn3Cu trigonal bipyramids that share corners with four equivalent O(4)MgMn3Cu trigonal bipyramids, corners with three equivalent O(2)Mn3Cu trigonal pyramids, and  an edgeedge with one O(2)Mn3Cu trigonal pyramid. is represented by the CIF file [CIF]
data_MgMn4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.115
_cell_length_c   6.630
_cell_angle_alpha   60.812
_cell_angle_beta   58.663
_cell_angle_gamma   60.548
_symmetry_Int_Tables_number   1
_cell_volume   175.311
_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  0.000  1.000  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.043  0.191  0.004  1.0
  Cu  Cu6  1  0.957  0.809  0.996  1.0
  O  O7  1  0.744  0.758  0.688  1.0
  O  O8  1  0.303  0.241  0.696  1.0
  O  O9  1  0.255  0.700  0.313  1.0
  O  O10  1  0.743  0.221  0.288  1.0
  O  O11  1  0.745  0.300  0.687  1.0
  O  O12  1  0.257  0.778  0.712  1.0
  O  O13  1  0.256  0.242  0.312  1.0
  O  O14  1  0.697  0.759  0.304  1.0
[/CIF]
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