The material described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the orthorhombic F222 space group. Mg(1) is bonded to four equivalent O(2) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   5.887
_cell_length_c   6.062
_cell_angle_alpha   60.475
_cell_angle_beta   58.325
_cell_angle_gamma   61.200
_symmetry_Int_Tables_number   1
_cell_volume   151.705
_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  0.502  0.503  0.501  1.0
  Mn  Mn2  1  0.994  0.501  0.503  1.0
  Mn  Mn3  1  0.503  0.502  0.994  1.0
  Mn  Mn4  1  0.501  0.994  0.502  1.0
  O  O5  1  0.296  0.735  0.732  1.0
  O  O6  1  0.738  0.732  0.735  1.0
  O  O7  1  0.735  0.296  0.738  1.0
  O  O8  1  0.732  0.738  0.296  1.0
  O  O9  1  0.260  0.265  0.262  1.0
  O  O10  1  0.713  0.262  0.265  1.0
  O  O11  1  0.265  0.260  0.713  1.0
  O  O12  1  0.262  0.713  0.260  1.0
[/CIF]
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The material described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the orthorhombic F222 space group. Mg(1) is bonded to four equivalent O(2) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   5.887
_cell_length_c   6.062
_cell_angle_alpha   60.475
_cell_angle_beta   58.325
_cell_angle_gamma   61.200
_symmetry_Int_Tables_number   1
_cell_volume   151.705
_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  0.502  0.503  0.501  1.0
  Mn  Mn2  1  0.994  0.501  0.503  1.0
  Mn  Mn3  1  0.503  0.502  0.994  1.0
  Mn  Mn4  1  0.501  0.994  0.502  1.0
  O  O5  1  0.296  0.735  0.732  1.0
  O  O6  1  0.738  0.732  0.735  1.0
  O  O7  1  0.735  0.296  0.738  1.0
  O  O8  1  0.732  0.738  0.296  1.0
  O  O9  1  0.260  0.265  0.262  1.0
  O  O10  1  0.713  0.262  0.265  1.0
  O  O11  1  0.265  0.260  0.713  1.0
  O  O12  1  0.262  0.713  0.260  1.0
[/CIF]
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