The material structure described by MnAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with twelve equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. O(1) is bonded to one Mn(1) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMnAl3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   5.789
_cell_length_c   5.789
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   137.170
_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
  Mn  Mn0  1  0.000  0.000  1.000  1.0
  Mn  Mn1  1  0.750  0.500  0.750  1.0
  Al  Al2  1  0.375  0.250  0.375  1.0
  Al  Al3  1  0.375  0.250  0.875  1.0
  Al  Al4  1  0.375  0.750  0.375  1.0
  Al  Al5  1  0.875  0.750  0.375  1.0
  O  O6  1  0.141  0.283  0.141  1.0
  O  O7  1  0.174  0.217  0.609  1.0
  O  O8  1  0.141  0.717  0.576  1.0
  O  O9  1  0.141  0.717  0.141  1.0
  O  O10  1  0.609  0.217  0.609  1.0
  O  O11  1  0.576  0.283  0.141  1.0
  O  O12  1  0.609  0.783  0.609  1.0
  O  O13  1  0.609  0.783  0.174  1.0
[/CIF]
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The material structure described by MnAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with twelve equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. O(1) is bonded to one Mn(1) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OMnAl3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   5.789
_cell_length_c   5.789
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   137.170
_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
  Mn  Mn0  1  0.000  0.000  1.000  1.0
  Mn  Mn1  1  0.750  0.500  0.750  1.0
  Al  Al2  1  0.375  0.250  0.375  1.0
  Al  Al3  1  0.375  0.250  0.875  1.0
  Al  Al4  1  0.375  0.750  0.375  1.0
  Al  Al5  1  0.875  0.750  0.375  1.0
  O  O6  1  0.141  0.283  0.141  1.0
  O  O7  1  0.174  0.217  0.609  1.0
  O  O8  1  0.141  0.717  0.576  1.0
  O  O9  1  0.141  0.717  0.141  1.0
  O  O10  1  0.609  0.217  0.609  1.0
  O  O11  1  0.576  0.283  0.141  1.0
  O  O12  1  0.609  0.783  0.609  1.0
  O  O13  1  0.609  0.783  0.174  1.0
[/CIF]
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