The crystal structure described by Al6Mn crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a distorted q6 geometry to two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(3) is bonded in a 11-coordinate geometry to one Mn(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the third Al site, Al(2) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Al(2), four equivalent Al(1), and four equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   4.910
_cell_length_c   8.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.909
_symmetry_Int_Tables_number   1
_cell_volume   208.613
_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  0.541  0.541  0.750  1.0
  Mn  Mn1  1  0.459  0.459  0.250  1.0
  Al  Al2  1  0.029  0.396  0.750  1.0
  Al  Al3  1  0.971  0.604  0.250  1.0
  Al  Al4  1  0.327  0.673  0.000  1.0
  Al  Al5  1  0.673  0.327  0.500  1.0
  Al  Al6  1  0.673  0.327  0.000  1.0
  Al  Al7  1  0.327  0.673  0.500  1.0
  Al  Al8  1  0.142  0.142  0.100  1.0
  Al  Al9  1  0.858  0.858  0.600  1.0
  Al  Al10  1  0.142  0.142  0.400  1.0
  Al  Al11  1  0.858  0.858  0.900  1.0
  Al  Al12  1  0.604  0.971  0.250  1.0
  Al  Al13  1  0.396  0.029  0.750  1.0
[/CIF]
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The crystal structure described by Al6Mn crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a distorted q6 geometry to two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(3) is bonded in a 11-coordinate geometry to one Mn(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the third Al site, Al(2) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Al(2), four equivalent Al(1), and four equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   4.910
_cell_length_c   8.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.909
_symmetry_Int_Tables_number   1
_cell_volume   208.613
_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  0.541  0.541  0.750  1.0
  Mn  Mn1  1  0.459  0.459  0.250  1.0
  Al  Al2  1  0.029  0.396  0.750  1.0
  Al  Al3  1  0.971  0.604  0.250  1.0
  Al  Al4  1  0.327  0.673  0.000  1.0
  Al  Al5  1  0.673  0.327  0.500  1.0
  Al  Al6  1  0.673  0.327  0.000  1.0
  Al  Al7  1  0.327  0.673  0.500  1.0
  Al  Al8  1  0.142  0.142  0.100  1.0
  Al  Al9  1  0.858  0.858  0.600  1.0
  Al  Al10  1  0.142  0.142  0.400  1.0
  Al  Al11  1  0.858  0.858  0.900  1.0
  Al  Al12  1  0.604  0.971  0.250  1.0
  Al  Al13  1  0.396  0.029  0.750  1.0
[/CIF]
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