The compound described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic Pc space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   6.091
_cell_length_c   10.091
_cell_angle_alpha   53.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.578
_cell_formula_units_Z   2
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  0.249  0.129  0.125  1.0
  Mg  Mg1  1  0.751  0.129  0.625  1.0
  Mn  Mn2  1  0.495  0.502  0.750  1.0
  Mn  Mn3  1  0.999  0.505  0.245  1.0
  Mn  Mn4  1  0.001  0.505  0.745  1.0
  Mn  Mn5  1  0.505  0.502  0.250  1.0
  Mn  Mn6  1  0.238  0.996  0.502  1.0
  Mn  Mn7  1  0.762  0.996  0.002  1.0
  Mn  Mn8  1  0.244  0.501  0.503  1.0
  Mn  Mn9  1  0.756  0.501  0.003  1.0
  O  O10  1  0.222  0.737  0.733  1.0
  O  O11  1  0.778  0.737  0.233  1.0
  O  O12  1  0.231  0.298  0.737  1.0
  O  O13  1  0.769  0.298  0.237  1.0
  O  O14  1  0.458  0.717  0.516  1.0
  O  O15  1  0.979  0.710  0.014  1.0
  O  O16  1  0.021  0.710  0.514  1.0
  O  O17  1  0.542  0.717  0.016  1.0
  O  O18  1  0.242  0.716  0.259  1.0
  O  O19  1  0.758  0.716  0.759  1.0
  O  O20  1  0.237  0.261  0.264  1.0
  O  O21  1  0.763  0.261  0.764  1.0
  O  O22  1  0.472  0.276  0.490  1.0
  O  O23  1  0.977  0.276  0.987  1.0
  O  O24  1  0.023  0.276  0.487  1.0
  O  O25  1  0.528  0.276  0.990  1.0
[/CIF]
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The compound described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic Pc space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   6.091
_cell_length_c   10.091
_cell_angle_alpha   53.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.578
_cell_formula_units_Z   2
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  0.249  0.129  0.125  1.0
  Mg  Mg1  1  0.751  0.129  0.625  1.0
  Mn  Mn2  1  0.495  0.502  0.750  1.0
  Mn  Mn3  1  0.999  0.505  0.245  1.0
  Mn  Mn4  1  0.001  0.505  0.745  1.0
  Mn  Mn5  1  0.505  0.502  0.250  1.0
  Mn  Mn6  1  0.238  0.996  0.502  1.0
  Mn  Mn7  1  0.762  0.996  0.002  1.0
  Mn  Mn8  1  0.244  0.501  0.503  1.0
  Mn  Mn9  1  0.756  0.501  0.003  1.0
  O  O10  1  0.222  0.737  0.733  1.0
  O  O11  1  0.778  0.737  0.233  1.0
  O  O12  1  0.231  0.298  0.737  1.0
  O  O13  1  0.769  0.298  0.237  1.0
  O  O14  1  0.458  0.717  0.516  1.0
  O  O15  1  0.979  0.710  0.014  1.0
  O  O16  1  0.021  0.710  0.514  1.0
  O  O17  1  0.542  0.717  0.016  1.0
  O  O18  1  0.242  0.716  0.259  1.0
  O  O19  1  0.758  0.716  0.759  1.0
  O  O20  1  0.237  0.261  0.264  1.0
  O  O21  1  0.763  0.261  0.764  1.0
  O  O22  1  0.472  0.276  0.490  1.0
  O  O23  1  0.977  0.276  0.987  1.0
  O  O24  1  0.023  0.276  0.487  1.0
  O  O25  1  0.528  0.276  0.990  1.0
[/CIF]
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