The material described by MgMn4(CuO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Cu(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. 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 MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted CuO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), two equivalent Mn(2), and one Cu(1) atom to form OMn3Cu trigonal pyramids that share corners with three equivalent O(3)MgMn3Cu trigonal bipyramids, corners with three equivalent O(1)Mn3Cu trigonal pyramids, and  an edgeedge with one O(3)MgMn3Cu trigonal bipyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), two equivalent Mn(2), and one Cu(2) atom to form distorted OMgMn3Cu trigonal bipyramids that share corners with four equivalent O(3)MgMn3Cu trigonal bipyramids, corners with three equivalent O(1)Mn3Cu trigonal pyramids, and  an edgeedge with one O(1)Mn3Cu trigonal pyramid. is represented by the CIF card [CIF]
data_MgMn4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.952
_cell_length_c   6.223
_cell_angle_alpha   53.549
_cell_angle_beta   60.101
_cell_angle_gamma   53.549
_symmetry_Int_Tables_number   1
_cell_volume   169.706
_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  0.125  0.125  1.0
  Mn  Mn1  1  0.945  0.005  0.945  1.0
  Mn  Mn2  1  0.305  0.245  0.305  1.0
  Mn  Mn3  1  0.125  0.625  0.625  1.0
  Mn  Mn4  1  0.625  0.625  0.125  1.0
  Cu  Cu5  1  0.625  0.125  0.625  1.0
  Cu  Cu6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.383  0.439  0.383  1.0
  O  O8  1  0.365  0.343  0.890  1.0
  O  O9  1  0.385  0.863  0.385  1.0
  O  O10  1  0.360  0.907  0.885  1.0
  O  O11  1  0.890  0.343  0.365  1.0
  O  O12  1  0.885  0.907  0.360  1.0
  O  O13  1  0.865  0.387  0.865  1.0
  O  O14  1  0.867  0.811  0.867  1.0
[/CIF]
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The material described by MgMn4(CuO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Cu(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. 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 MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted CuO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), two equivalent Mn(2), and one Cu(1) atom to form OMn3Cu trigonal pyramids that share corners with three equivalent O(3)MgMn3Cu trigonal bipyramids, corners with three equivalent O(1)Mn3Cu trigonal pyramids, and  an edgeedge with one O(3)MgMn3Cu trigonal bipyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), two equivalent Mn(2), and one Cu(2) atom to form distorted OMgMn3Cu trigonal bipyramids that share corners with four equivalent O(3)MgMn3Cu trigonal bipyramids, corners with three equivalent O(1)Mn3Cu trigonal pyramids, and  an edgeedge with one O(1)Mn3Cu trigonal pyramid. is represented by the CIF card [CIF]
data_MgMn4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.952
_cell_length_c   6.223
_cell_angle_alpha   53.549
_cell_angle_beta   60.101
_cell_angle_gamma   53.549
_symmetry_Int_Tables_number   1
_cell_volume   169.706
_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  0.125  0.125  1.0
  Mn  Mn1  1  0.945  0.005  0.945  1.0
  Mn  Mn2  1  0.305  0.245  0.305  1.0
  Mn  Mn3  1  0.125  0.625  0.625  1.0
  Mn  Mn4  1  0.625  0.625  0.125  1.0
  Cu  Cu5  1  0.625  0.125  0.625  1.0
  Cu  Cu6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.383  0.439  0.383  1.0
  O  O8  1  0.365  0.343  0.890  1.0
  O  O9  1  0.385  0.863  0.385  1.0
  O  O10  1  0.360  0.907  0.885  1.0
  O  O11  1  0.890  0.343  0.365  1.0
  O  O12  1  0.885  0.907  0.360  1.0
  O  O13  1  0.865  0.387  0.865  1.0
  O  O14  1  0.867  0.811  0.867  1.0
[/CIF]
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