The material structure described by Mn2AlO4 is Spinel structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Mn(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   6.010
_cell_angle_alpha   59.843
_cell_angle_beta   59.843
_cell_angle_gamma   59.843
_symmetry_Int_Tables_number   1
_cell_volume   152.962
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Al  Al4  1  0.621  0.621  0.621  1.0
  Al  Al5  1  0.379  0.379  0.379  1.0
  O  O6  1  0.745  0.245  0.745  1.0
  O  O7  1  0.255  0.255  0.755  1.0
  O  O8  1  0.755  0.255  0.255  1.0
  O  O9  1  0.258  0.258  0.258  1.0
  O  O10  1  0.745  0.745  0.245  1.0
  O  O11  1  0.255  0.755  0.255  1.0
  O  O12  1  0.245  0.745  0.745  1.0
  O  O13  1  0.742  0.742  0.742  1.0
[/CIF]
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The material structure described by Mn2AlO4 is Spinel structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Mn(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   6.010
_cell_angle_alpha   59.843
_cell_angle_beta   59.843
_cell_angle_gamma   59.843
_symmetry_Int_Tables_number   1
_cell_volume   152.962
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Al  Al4  1  0.621  0.621  0.621  1.0
  Al  Al5  1  0.379  0.379  0.379  1.0
  O  O6  1  0.745  0.245  0.745  1.0
  O  O7  1  0.255  0.255  0.755  1.0
  O  O8  1  0.755  0.255  0.255  1.0
  O  O9  1  0.258  0.258  0.258  1.0
  O  O10  1  0.745  0.745  0.245  1.0
  O  O11  1  0.255  0.755  0.255  1.0
  O  O12  1  0.245  0.745  0.745  1.0
  O  O13  1  0.742  0.742  0.742  1.0
[/CIF]
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