The crystal structure described by MgMn3CuO8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mn(2)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 MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_MgMn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.586
_cell_length_b   10.586
_cell_length_c   15.043
_cell_angle_alpha   18.677
_cell_angle_beta   18.653
_cell_angle_gamma   32.192
_symmetry_Int_Tables_number   1
_cell_volume   149.426
_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  1.000  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.500  1.000  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  1.000  0.000  1.000  1.0
  O  O5  1  0.000  0.001  0.267  1.0
  O  O6  1  0.000  0.457  0.292  1.0
  O  O7  1  0.460  0.001  0.290  1.0
  O  O8  1  1.000  0.999  0.733  1.0
  O  O9  1  0.540  0.540  0.211  1.0
  O  O10  1  1.000  0.544  0.708  1.0
  O  O11  1  0.540  0.999  0.710  1.0
  O  O12  1  0.460  0.460  0.789  1.0
[/CIF]
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The crystal structure described by MgMn3CuO8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mn(2)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 MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_MgMn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.586
_cell_length_b   10.586
_cell_length_c   15.043
_cell_angle_alpha   18.677
_cell_angle_beta   18.653
_cell_angle_gamma   32.192
_symmetry_Int_Tables_number   1
_cell_volume   149.426
_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  1.000  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.500  1.000  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  1.000  0.000  1.000  1.0
  O  O5  1  0.000  0.001  0.267  1.0
  O  O6  1  0.000  0.457  0.292  1.0
  O  O7  1  0.460  0.001  0.290  1.0
  O  O8  1  1.000  0.999  0.733  1.0
  O  O9  1  0.540  0.540  0.211  1.0
  O  O10  1  1.000  0.544  0.708  1.0
  O  O11  1  0.540  0.999  0.710  1.0
  O  O12  1  0.460  0.460  0.789  1.0
[/CIF]
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