The material structure described by Al8Mn5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(3) atoms to form distorted MnMn9Al3 cuboctahedra that share faces with two equivalent Al(1)Mn3Al9 cuboctahedra. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(4), two equivalent Mn(2), two equivalent Mn(3), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(4), one Al(2), one Al(3), one Al(4), and four equivalent Al(5) atoms. In the fourth Mn site, Mn(4) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), one Al(2), one Al(4), two equivalent Al(3), and four equivalent Al(5) atoms. There are five inequivalent Al sites. In the first Al site, Al(3) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), one Al(1), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(2) atoms. In the third Al site, Al(5) is bonded in a 12-coordinate geometry to one Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Al(3), one Al(4), two equivalent Al(2), and three equivalent Al(5) atoms. In the fourth Al site, Al(1) is bonded to three equivalent Mn(2), three equivalent Al(2), three equivalent Al(3), and three equivalent Al(4) atoms to form distorted AlMn3Al9 cuboctahedra that share faces with two equivalent Mn(1)Mn9Al3 cuboctahedra. In the fifth Al site, Al(2) is bonded in a 13-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(2), one Al(1), one Al(3), three equivalent Al(4), and four equivalent Al(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5Al8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.714
_cell_length_b   7.714
_cell_length_c   7.714
_cell_angle_alpha   109.535
_cell_angle_beta   109.535
_cell_angle_gamma   109.535
_symmetry_Int_Tables_number   1
_cell_volume   352.497
_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  0.151  0.151  0.151  1.0
  Mn  Mn1  1  0.789  0.001  0.001  1.0
  Mn  Mn2  1  0.001  0.001  0.789  1.0
  Mn  Mn3  1  0.001  0.789  0.001  1.0
  Mn  Mn4  1  0.329  0.988  0.988  1.0
  Mn  Mn5  1  0.988  0.988  0.329  1.0
  Mn  Mn6  1  0.988  0.329  0.988  1.0
  Mn  Mn7  1  0.021  0.368  0.368  1.0
  Mn  Mn8  1  0.368  0.368  0.021  1.0
  Mn  Mn9  1  0.368  0.021  0.368  1.0
  Al  Al10  1  0.689  0.689  0.689  1.0
  Al  Al11  1  1.000  0.641  0.641  1.0
  Al  Al12  1  0.641  0.641  1.000  1.0
  Al  Al13  1  0.641  1.000  0.641  1.0
  Al  Al14  1  0.556  0.336  0.336  1.0
  Al  Al15  1  0.336  0.336  0.556  1.0
  Al  Al16  1  0.336  0.556  0.336  1.0
  Al  Al17  1  0.382  0.737  0.737  1.0
  Al  Al18  1  0.737  0.737  0.382  1.0
  Al  Al19  1  0.737  0.382  0.737  1.0
  Al  Al20  1  0.047  0.673  0.279  1.0
  Al  Al21  1  0.673  0.279  0.047  1.0
  Al  Al22  1  0.279  0.047  0.673  1.0
  Al  Al23  1  0.047  0.279  0.673  1.0
  Al  Al24  1  0.279  0.673  0.047  1.0
  Al  Al25  1  0.673  0.047  0.279  1.0
[/CIF]
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The material structure described by Al8Mn5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(3) atoms to form distorted MnMn9Al3 cuboctahedra that share faces with two equivalent Al(1)Mn3Al9 cuboctahedra. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(4), two equivalent Mn(2), two equivalent Mn(3), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(4), one Al(2), one Al(3), one Al(4), and four equivalent Al(5) atoms. In the fourth Mn site, Mn(4) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), one Al(2), one Al(4), two equivalent Al(3), and four equivalent Al(5) atoms. There are five inequivalent Al sites. In the first Al site, Al(3) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), one Al(1), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(2) atoms. In the third Al site, Al(5) is bonded in a 12-coordinate geometry to one Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Al(3), one Al(4), two equivalent Al(2), and three equivalent Al(5) atoms. In the fourth Al site, Al(1) is bonded to three equivalent Mn(2), three equivalent Al(2), three equivalent Al(3), and three equivalent Al(4) atoms to form distorted AlMn3Al9 cuboctahedra that share faces with two equivalent Mn(1)Mn9Al3 cuboctahedra. In the fifth Al site, Al(2) is bonded in a 13-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(2), one Al(1), one Al(3), three equivalent Al(4), and four equivalent Al(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5Al8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.714
_cell_length_b   7.714
_cell_length_c   7.714
_cell_angle_alpha   109.535
_cell_angle_beta   109.535
_cell_angle_gamma   109.535
_symmetry_Int_Tables_number   1
_cell_volume   352.497
_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  0.151  0.151  0.151  1.0
  Mn  Mn1  1  0.789  0.001  0.001  1.0
  Mn  Mn2  1  0.001  0.001  0.789  1.0
  Mn  Mn3  1  0.001  0.789  0.001  1.0
  Mn  Mn4  1  0.329  0.988  0.988  1.0
  Mn  Mn5  1  0.988  0.988  0.329  1.0
  Mn  Mn6  1  0.988  0.329  0.988  1.0
  Mn  Mn7  1  0.021  0.368  0.368  1.0
  Mn  Mn8  1  0.368  0.368  0.021  1.0
  Mn  Mn9  1  0.368  0.021  0.368  1.0
  Al  Al10  1  0.689  0.689  0.689  1.0
  Al  Al11  1  1.000  0.641  0.641  1.0
  Al  Al12  1  0.641  0.641  1.000  1.0
  Al  Al13  1  0.641  1.000  0.641  1.0
  Al  Al14  1  0.556  0.336  0.336  1.0
  Al  Al15  1  0.336  0.336  0.556  1.0
  Al  Al16  1  0.336  0.556  0.336  1.0
  Al  Al17  1  0.382  0.737  0.737  1.0
  Al  Al18  1  0.737  0.737  0.382  1.0
  Al  Al19  1  0.737  0.382  0.737  1.0
  Al  Al20  1  0.047  0.673  0.279  1.0
  Al  Al21  1  0.673  0.279  0.047  1.0
  Al  Al22  1  0.279  0.047  0.673  1.0
  Al  Al23  1  0.047  0.279  0.673  1.0
  Al  Al24  1  0.279  0.673  0.047  1.0
  Al  Al25  1  0.673  0.047  0.279  1.0
[/CIF]
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