The material structure described by MgMn3Cu3O8 crystallizes in the monoclinic C2 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 Cu(2)O6 octahedra and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) 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 Cu(2)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(3)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(4)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(2)Mn2Cu2 trigonal pyramids, corners with four equivalent O(1)MgMn3 trigonal pyramids, edges with two equivalent O(3)MgMn2Cu2 trigonal bipyramids, edges with two equivalent O(4)MgMn2Cu2 trigonal bipyramids, and  an edgeedge with one O(2)Mn2Cu2 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mn(1), one Cu(1), and one Cu(2) atom to form OMn2Cu2 trigonal pyramids that share corners with three equivalent O(3)MgMn2Cu2 trigonal bipyramids, corners with three equivalent O(4)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(2)Mn2Cu2 trigonal pyramids,  an edgeedge with one O(3)MgMn2Cu2 trigonal bipyramid,  an edgeedge with one O(4)MgMn2Cu2 trigonal bipyramid, and  an edgeedge with one O(1)MgMn3 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(2), one Cu(1), and one Cu(2) atom to form distorted OMgMn2Cu2 trigonal bipyramids that share  a cornercorner with one O(3)MgMn2Cu2 trigonal bipyramid, corners with four equivalent O(4)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(2)Mn2Cu2 trigonal pyramids,  an edgeedge with one O(3)MgMn2Cu2 trigonal bipyramid, edges with two equivalent O(4)MgMn2Cu2 trigonal bipyramids,  an edgeedge with one O(2)Mn2Cu2 trigonal pyramid, and edges with two equivalent O(1)MgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(2), one Cu(1), and one Cu(2) atom to form distorted OMgMn2Cu2 trigonal bipyramids that share  a cornercorner with one O(4)MgMn2Cu2 trigonal bipyramid, corners with four equivalent O(3)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(2)Mn2Cu2 trigonal pyramids,  an edgeedge with one O(4)MgMn2Cu2 trigonal bipyramid, edges with two equivalent O(3)MgMn2Cu2 trigonal bipyramids,  an edgeedge with one O(2)Mn2Cu2 trigonal pyramid, and edges with two equivalent O(1)MgMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.074
_cell_length_b   6.074
_cell_length_c   6.681
_cell_angle_alpha   59.050
_cell_angle_beta   59.050
_cell_angle_gamma   59.232
_symmetry_Int_Tables_number   1
_cell_volume   170.735
_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  0.098  0.152  0.625  1.0
  Mn  Mn1  1  0.106  0.643  0.627  1.0
  Mn  Mn2  1  0.607  0.144  0.623  1.0
  Mn  Mn3  1  0.650  0.600  0.125  1.0
  Cu  Cu4  1  0.074  0.947  0.109  1.0
  Cu  Cu5  1  0.303  0.176  0.141  1.0
  Cu  Cu6  1  0.611  0.639  0.625  1.0
  O  O7  1  0.358  0.396  0.429  1.0
  O  O8  1  0.369  0.405  0.818  1.0
  O  O9  1  0.339  0.875  0.426  1.0
  O  O10  1  0.837  0.375  0.415  1.0
  O  O11  1  0.375  0.911  0.824  1.0
  O  O12  1  0.875  0.413  0.835  1.0
  O  O13  1  0.845  0.881  0.432  1.0
  O  O14  1  0.854  0.892  0.821  1.0
[/CIF]
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The material structure described by MgMn3Cu3O8 crystallizes in the monoclinic C2 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 Cu(2)O6 octahedra and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) 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 Cu(2)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(3)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(4)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(2)Mn2Cu2 trigonal pyramids, corners with four equivalent O(1)MgMn3 trigonal pyramids, edges with two equivalent O(3)MgMn2Cu2 trigonal bipyramids, edges with two equivalent O(4)MgMn2Cu2 trigonal bipyramids, and  an edgeedge with one O(2)Mn2Cu2 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mn(1), one Cu(1), and one Cu(2) atom to form OMn2Cu2 trigonal pyramids that share corners with three equivalent O(3)MgMn2Cu2 trigonal bipyramids, corners with three equivalent O(4)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(2)Mn2Cu2 trigonal pyramids,  an edgeedge with one O(3)MgMn2Cu2 trigonal bipyramid,  an edgeedge with one O(4)MgMn2Cu2 trigonal bipyramid, and  an edgeedge with one O(1)MgMn3 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(2), one Cu(1), and one Cu(2) atom to form distorted OMgMn2Cu2 trigonal bipyramids that share  a cornercorner with one O(3)MgMn2Cu2 trigonal bipyramid, corners with four equivalent O(4)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(2)Mn2Cu2 trigonal pyramids,  an edgeedge with one O(3)MgMn2Cu2 trigonal bipyramid, edges with two equivalent O(4)MgMn2Cu2 trigonal bipyramids,  an edgeedge with one O(2)Mn2Cu2 trigonal pyramid, and edges with two equivalent O(1)MgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(2), one Cu(1), and one Cu(2) atom to form distorted OMgMn2Cu2 trigonal bipyramids that share  a cornercorner with one O(4)MgMn2Cu2 trigonal bipyramid, corners with four equivalent O(3)MgMn2Cu2 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(2)Mn2Cu2 trigonal pyramids,  an edgeedge with one O(4)MgMn2Cu2 trigonal bipyramid, edges with two equivalent O(3)MgMn2Cu2 trigonal bipyramids,  an edgeedge with one O(2)Mn2Cu2 trigonal pyramid, and edges with two equivalent O(1)MgMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.074
_cell_length_b   6.074
_cell_length_c   6.681
_cell_angle_alpha   59.050
_cell_angle_beta   59.050
_cell_angle_gamma   59.232
_symmetry_Int_Tables_number   1
_cell_volume   170.735
_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  0.098  0.152  0.625  1.0
  Mn  Mn1  1  0.106  0.643  0.627  1.0
  Mn  Mn2  1  0.607  0.144  0.623  1.0
  Mn  Mn3  1  0.650  0.600  0.125  1.0
  Cu  Cu4  1  0.074  0.947  0.109  1.0
  Cu  Cu5  1  0.303  0.176  0.141  1.0
  Cu  Cu6  1  0.611  0.639  0.625  1.0
  O  O7  1  0.358  0.396  0.429  1.0
  O  O8  1  0.369  0.405  0.818  1.0
  O  O9  1  0.339  0.875  0.426  1.0
  O  O10  1  0.837  0.375  0.415  1.0
  O  O11  1  0.375  0.911  0.824  1.0
  O  O12  1  0.875  0.413  0.835  1.0
  O  O13  1  0.845  0.881  0.432  1.0
  O  O14  1  0.854  0.892  0.821  1.0
[/CIF]
.