The material structure described by MgMn3Cu3O8 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(3) and three equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with four equivalent Mn(1)O6 octahedra and  an edgeedge with one Cu(3)MgO3 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded to one Mg(1) and three equivalent O(2) atoms to form distorted CuMgO3 tetrahedra that share edges with three equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(1), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MgMn3Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   46.720
_cell_angle_beta   46.720
_cell_angle_gamma   46.720
_symmetry_Int_Tables_number   1
_cell_volume   225.080
_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  0.689  0.689  0.689  1.0
  Mn  Mn1  1  0.133  0.634  0.634  1.0
  Mn  Mn2  1  0.634  0.133  0.634  1.0
  Mn  Mn3  1  0.634  0.634  0.133  1.0
  Cu  Cu4  1  0.065  0.065  0.065  1.0
  Cu  Cu5  1  0.206  0.206  0.206  1.0
  Cu  Cu6  1  0.569  0.569  0.569  1.0
  O  O7  1  0.427  0.427  0.427  1.0
  O  O8  1  0.368  0.368  0.849  1.0
  O  O9  1  0.368  0.849  0.368  1.0
  O  O10  1  0.849  0.368  0.368  1.0
  O  O11  1  0.427  0.895  0.895  1.0
  O  O12  1  0.895  0.427  0.895  1.0
  O  O13  1  0.895  0.895  0.427  1.0
  O  O14  1  0.841  0.841  0.841  1.0
[/CIF]
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The material structure described by MgMn3Cu3O8 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(3) and three equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with four equivalent Mn(1)O6 octahedra and  an edgeedge with one Cu(3)MgO3 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded to one Mg(1) and three equivalent O(2) atoms to form distorted CuMgO3 tetrahedra that share edges with three equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(1), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MgMn3Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   46.720
_cell_angle_beta   46.720
_cell_angle_gamma   46.720
_symmetry_Int_Tables_number   1
_cell_volume   225.080
_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  0.689  0.689  0.689  1.0
  Mn  Mn1  1  0.133  0.634  0.634  1.0
  Mn  Mn2  1  0.634  0.133  0.634  1.0
  Mn  Mn3  1  0.634  0.634  0.133  1.0
  Cu  Cu4  1  0.065  0.065  0.065  1.0
  Cu  Cu5  1  0.206  0.206  0.206  1.0
  Cu  Cu6  1  0.569  0.569  0.569  1.0
  O  O7  1  0.427  0.427  0.427  1.0
  O  O8  1  0.368  0.368  0.849  1.0
  O  O9  1  0.368  0.849  0.368  1.0
  O  O10  1  0.849  0.368  0.368  1.0
  O  O11  1  0.427  0.895  0.895  1.0
  O  O12  1  0.895  0.427  0.895  1.0
  O  O13  1  0.895  0.895  0.427  1.0
  O  O14  1  0.841  0.841  0.841  1.0
[/CIF]
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