The structure described by Mn2Al3 is beta-derived structured and crystallizes in the cubic P4_132 space group. Mn(1) is bonded to three equivalent Mn(1) and nine equivalent Al(1) atoms to form MnMn3Al9 cuboctahedra that share corners with twelve equivalent Al(1)Mn6Al6 cuboctahedra, corners with fifteen equivalent Mn(1)Mn3Al9 cuboctahedra, edges with six equivalent Al(1)Mn6Al6 cuboctahedra, faces with ten equivalent Mn(1)Mn3Al9 cuboctahedra, and faces with fifteen equivalent Al(1)Mn6Al6 cuboctahedra. Al(1) is bonded to six equivalent Mn(1) and six equivalent Al(1) atoms to form distorted AlMn6Al6 cuboctahedra that share corners with eight equivalent Mn(1)Mn3Al9 cuboctahedra, corners with ten equivalent Al(1)Mn6Al6 cuboctahedra, edges with four equivalent Mn(1)Mn3Al9 cuboctahedra, edges with ten equivalent Al(1)Mn6Al6 cuboctahedra, faces with ten equivalent Mn(1)Mn3Al9 cuboctahedra, and faces with fourteen equivalent Al(1)Mn6Al6 cuboctahedra. is represented by the CIF file [CIF]
data_Mn2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.333
_cell_length_b   6.333
_cell_length_c   6.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.054
_cell_formula_units_Z   4
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  0.179  0.821  0.321  1.0
  Mn  Mn1  1  0.321  0.179  0.821  1.0
  Mn  Mn2  1  0.821  0.321  0.179  1.0
  Mn  Mn3  1  0.679  0.679  0.679  1.0
  Mn  Mn4  1  0.571  0.429  0.929  1.0
  Mn  Mn5  1  0.429  0.929  0.571  1.0
  Mn  Mn6  1  0.929  0.571  0.429  1.0
  Mn  Mn7  1  0.071  0.071  0.071  1.0
  Al  Al8  1  0.796  0.954  0.375  1.0
  Al  Al9  1  0.704  0.046  0.875  1.0
  Al  Al10  1  0.204  0.454  0.125  1.0
  Al  Al11  1  0.296  0.546  0.625  1.0
  Al  Al12  1  0.954  0.375  0.796  1.0
  Al  Al13  1  0.046  0.875  0.704  1.0
  Al  Al14  1  0.454  0.125  0.204  1.0
  Al  Al15  1  0.546  0.625  0.296  1.0
  Al  Al16  1  0.375  0.796  0.954  1.0
  Al  Al17  1  0.875  0.704  0.046  1.0
  Al  Al18  1  0.125  0.204  0.454  1.0
  Al  Al19  1  0.625  0.296  0.546  1.0
[/CIF]
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The structure described by Mn2Al3 is beta-derived structured and crystallizes in the cubic P4_132 space group. Mn(1) is bonded to three equivalent Mn(1) and nine equivalent Al(1) atoms to form MnMn3Al9 cuboctahedra that share corners with twelve equivalent Al(1)Mn6Al6 cuboctahedra, corners with fifteen equivalent Mn(1)Mn3Al9 cuboctahedra, edges with six equivalent Al(1)Mn6Al6 cuboctahedra, faces with ten equivalent Mn(1)Mn3Al9 cuboctahedra, and faces with fifteen equivalent Al(1)Mn6Al6 cuboctahedra. Al(1) is bonded to six equivalent Mn(1) and six equivalent Al(1) atoms to form distorted AlMn6Al6 cuboctahedra that share corners with eight equivalent Mn(1)Mn3Al9 cuboctahedra, corners with ten equivalent Al(1)Mn6Al6 cuboctahedra, edges with four equivalent Mn(1)Mn3Al9 cuboctahedra, edges with ten equivalent Al(1)Mn6Al6 cuboctahedra, faces with ten equivalent Mn(1)Mn3Al9 cuboctahedra, and faces with fourteen equivalent Al(1)Mn6Al6 cuboctahedra. is represented by the CIF file [CIF]
data_Mn2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.333
_cell_length_b   6.333
_cell_length_c   6.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.054
_cell_formula_units_Z   4
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  0.179  0.821  0.321  1.0
  Mn  Mn1  1  0.321  0.179  0.821  1.0
  Mn  Mn2  1  0.821  0.321  0.179  1.0
  Mn  Mn3  1  0.679  0.679  0.679  1.0
  Mn  Mn4  1  0.571  0.429  0.929  1.0
  Mn  Mn5  1  0.429  0.929  0.571  1.0
  Mn  Mn6  1  0.929  0.571  0.429  1.0
  Mn  Mn7  1  0.071  0.071  0.071  1.0
  Al  Al8  1  0.796  0.954  0.375  1.0
  Al  Al9  1  0.704  0.046  0.875  1.0
  Al  Al10  1  0.204  0.454  0.125  1.0
  Al  Al11  1  0.296  0.546  0.625  1.0
  Al  Al12  1  0.954  0.375  0.796  1.0
  Al  Al13  1  0.046  0.875  0.704  1.0
  Al  Al14  1  0.454  0.125  0.204  1.0
  Al  Al15  1  0.546  0.625  0.296  1.0
  Al  Al16  1  0.375  0.796  0.954  1.0
  Al  Al17  1  0.875  0.704  0.046  1.0
  Al  Al18  1  0.125  0.204  0.454  1.0
  Al  Al19  1  0.625  0.296  0.546  1.0
[/CIF]
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