The structure described by MgMn4O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. 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 distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OMgMn4 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   5.867
_cell_length_c   5.320
_cell_angle_alpha   112.640
_cell_angle_beta   62.756
_cell_angle_gamma   116.867
_symmetry_Int_Tables_number   1
_cell_volume   125.326
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.114  0.384  0.131  1.0
  Mn  Mn2  1  0.666  0.028  0.685  1.0
  Mn  Mn3  1  0.334  0.973  0.315  1.0
  Mn  Mn4  1  0.886  0.616  0.869  1.0
  O  O5  1  0.312  0.766  0.547  1.0
  O  O6  1  0.058  0.274  0.731  1.0
  O  O7  1  0.423  0.243  0.116  1.0
  O  O8  1  0.577  0.757  0.884  1.0
  O  O9  1  0.942  0.726  0.269  1.0
  O  O10  1  0.688  0.234  0.453  1.0
[/CIF]
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The structure described by MgMn4O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. 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 distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OMgMn4 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   5.867
_cell_length_c   5.320
_cell_angle_alpha   112.640
_cell_angle_beta   62.756
_cell_angle_gamma   116.867
_symmetry_Int_Tables_number   1
_cell_volume   125.326
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.114  0.384  0.131  1.0
  Mn  Mn2  1  0.666  0.028  0.685  1.0
  Mn  Mn3  1  0.334  0.973  0.315  1.0
  Mn  Mn4  1  0.886  0.616  0.869  1.0
  O  O5  1  0.312  0.766  0.547  1.0
  O  O6  1  0.058  0.274  0.731  1.0
  O  O7  1  0.423  0.243  0.116  1.0
  O  O8  1  0.577  0.757  0.884  1.0
  O  O9  1  0.942  0.726  0.269  1.0
  O  O10  1  0.688  0.234  0.453  1.0
[/CIF]
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