The material structure described by MgMn2Al2O6 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 Al(1)O6 octahedra and faces with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted AlO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. 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 Al(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Al(1) atoms. 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 Al(1) atoms. is represented by the CIF file [CIF]
data_MgMn2Al2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.125
_cell_length_c   5.758
_cell_angle_alpha   63.639
_cell_angle_beta   116.619
_cell_angle_gamma   119.964
_symmetry_Int_Tables_number   1
_cell_volume   112.330
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.625  0.378  0.870  1.0
  Mn  Mn2  1  0.375  0.622  0.130  1.0
  Al  Al3  1  0.824  0.176  0.472  1.0
  Al  Al4  1  0.176  0.824  0.528  1.0
  O  O5  1  0.960  0.810  0.730  1.0
  O  O6  1  0.582  0.043  0.729  1.0
  O  O7  1  0.191  0.420  0.731  1.0
  O  O8  1  0.809  0.580  0.269  1.0
  O  O9  1  0.418  0.957  0.271  1.0
  O  O10  1  0.040  0.190  0.270  1.0
[/CIF]
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The material structure described by MgMn2Al2O6 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 Al(1)O6 octahedra and faces with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted AlO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. 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 Al(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Al(1) atoms. 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 Al(1) atoms. is represented by the CIF file [CIF]
data_MgMn2Al2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.125
_cell_length_c   5.758
_cell_angle_alpha   63.639
_cell_angle_beta   116.619
_cell_angle_gamma   119.964
_symmetry_Int_Tables_number   1
_cell_volume   112.330
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.625  0.378  0.870  1.0
  Mn  Mn2  1  0.375  0.622  0.130  1.0
  Al  Al3  1  0.824  0.176  0.472  1.0
  Al  Al4  1  0.176  0.824  0.528  1.0
  O  O5  1  0.960  0.810  0.730  1.0
  O  O6  1  0.582  0.043  0.729  1.0
  O  O7  1  0.191  0.420  0.731  1.0
  O  O8  1  0.809  0.580  0.269  1.0
  O  O9  1  0.418  0.957  0.271  1.0
  O  O10  1  0.040  0.190  0.270  1.0
[/CIF]
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