The material structure described by Al8Cr5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 12-coordinate geometry to three equivalent Cr(2), three equivalent Cr(3), three equivalent Cr(4), and three equivalent Al(3) atoms. In the second Cr site, Cr(2) is bonded in a 12-coordinate geometry to one Cr(1), one Cr(4), two equivalent Cr(2), two equivalent Cr(3), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. In the third Cr site, Cr(3) is bonded in a 12-coordinate geometry to one Cr(1), two equivalent Cr(2), two equivalent Cr(4), one Al(2), one Al(3), one Al(4), and four equivalent Al(5) atoms. In the fourth Cr site, Cr(4) is bonded in a 12-coordinate geometry to one Cr(1), one Cr(2), two equivalent Cr(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(1) is bonded in a distorted cuboctahedral geometry to three equivalent Cr(2), three equivalent Al(2), three equivalent Al(3), and three equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 13-coordinate geometry to one Cr(3), one Cr(4), two equivalent Cr(2), one Al(1), one Al(3), three equivalent Al(4), and four equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one Cr(1), one Cr(3), two equivalent Cr(4), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Cr(2), one Cr(3), one Cr(4), one Al(1), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(2) atoms. In the fifth Al site, Al(5) is bonded in a 11-coordinate geometry to one Cr(2), two equivalent Cr(3), two equivalent Cr(4), one Al(3), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al8Cr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.879
_cell_length_b   7.879
_cell_length_c   7.879
_cell_angle_alpha   109.695
_cell_angle_beta   109.695
_cell_angle_gamma   109.695
_symmetry_Int_Tables_number   1
_cell_volume   373.356
_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
  Al  Al0  1  0.304  0.304  0.304  1.0
  Al  Al1  1  0.353  0.998  0.353  1.0
  Al  Al2  1  0.353  0.353  0.998  1.0
  Al  Al3  1  0.998  0.353  0.353  1.0
  Al  Al4  1  0.663  0.441  0.663  1.0
  Al  Al5  1  0.663  0.663  0.441  1.0
  Al  Al6  1  0.441  0.663  0.663  1.0
  Al  Al7  1  0.265  0.616  0.265  1.0
  Al  Al8  1  0.265  0.265  0.616  1.0
  Al  Al9  1  0.616  0.265  0.265  1.0
  Al  Al10  1  0.719  0.333  0.962  1.0
  Al  Al11  1  0.962  0.719  0.333  1.0
  Al  Al12  1  0.333  0.962  0.719  1.0
  Al  Al13  1  0.333  0.719  0.962  1.0
  Al  Al14  1  0.962  0.333  0.719  1.0
  Al  Al15  1  0.719  0.962  0.333  1.0
  Cr  Cr16  1  0.849  0.849  0.849  1.0
  Cr  Cr17  1  0.985  0.203  0.985  1.0
  Cr  Cr18  1  0.985  0.985  0.203  1.0
  Cr  Cr19  1  0.203  0.985  0.985  1.0
  Cr  Cr20  1  0.012  0.666  0.012  1.0
  Cr  Cr21  1  0.012  0.012  0.666  1.0
  Cr  Cr22  1  0.666  0.012  0.012  1.0
  Cr  Cr23  1  0.635  0.984  0.635  1.0
  Cr  Cr24  1  0.635  0.635  0.984  1.0
  Cr  Cr25  1  0.984  0.635  0.635  1.0
[/CIF]
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The material structure described by Al8Cr5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 12-coordinate geometry to three equivalent Cr(2), three equivalent Cr(3), three equivalent Cr(4), and three equivalent Al(3) atoms. In the second Cr site, Cr(2) is bonded in a 12-coordinate geometry to one Cr(1), one Cr(4), two equivalent Cr(2), two equivalent Cr(3), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. In the third Cr site, Cr(3) is bonded in a 12-coordinate geometry to one Cr(1), two equivalent Cr(2), two equivalent Cr(4), one Al(2), one Al(3), one Al(4), and four equivalent Al(5) atoms. In the fourth Cr site, Cr(4) is bonded in a 12-coordinate geometry to one Cr(1), one Cr(2), two equivalent Cr(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(1) is bonded in a distorted cuboctahedral geometry to three equivalent Cr(2), three equivalent Al(2), three equivalent Al(3), and three equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 13-coordinate geometry to one Cr(3), one Cr(4), two equivalent Cr(2), one Al(1), one Al(3), three equivalent Al(4), and four equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one Cr(1), one Cr(3), two equivalent Cr(4), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Cr(2), one Cr(3), one Cr(4), one Al(1), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(2) atoms. In the fifth Al site, Al(5) is bonded in a 11-coordinate geometry to one Cr(2), two equivalent Cr(3), two equivalent Cr(4), one Al(3), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al8Cr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.879
_cell_length_b   7.879
_cell_length_c   7.879
_cell_angle_alpha   109.695
_cell_angle_beta   109.695
_cell_angle_gamma   109.695
_symmetry_Int_Tables_number   1
_cell_volume   373.356
_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
  Al  Al0  1  0.304  0.304  0.304  1.0
  Al  Al1  1  0.353  0.998  0.353  1.0
  Al  Al2  1  0.353  0.353  0.998  1.0
  Al  Al3  1  0.998  0.353  0.353  1.0
  Al  Al4  1  0.663  0.441  0.663  1.0
  Al  Al5  1  0.663  0.663  0.441  1.0
  Al  Al6  1  0.441  0.663  0.663  1.0
  Al  Al7  1  0.265  0.616  0.265  1.0
  Al  Al8  1  0.265  0.265  0.616  1.0
  Al  Al9  1  0.616  0.265  0.265  1.0
  Al  Al10  1  0.719  0.333  0.962  1.0
  Al  Al11  1  0.962  0.719  0.333  1.0
  Al  Al12  1  0.333  0.962  0.719  1.0
  Al  Al13  1  0.333  0.719  0.962  1.0
  Al  Al14  1  0.962  0.333  0.719  1.0
  Al  Al15  1  0.719  0.962  0.333  1.0
  Cr  Cr16  1  0.849  0.849  0.849  1.0
  Cr  Cr17  1  0.985  0.203  0.985  1.0
  Cr  Cr18  1  0.985  0.985  0.203  1.0
  Cr  Cr19  1  0.203  0.985  0.985  1.0
  Cr  Cr20  1  0.012  0.666  0.012  1.0
  Cr  Cr21  1  0.012  0.012  0.666  1.0
  Cr  Cr22  1  0.666  0.012  0.012  1.0
  Cr  Cr23  1  0.635  0.984  0.635  1.0
  Cr  Cr24  1  0.635  0.635  0.984  1.0
  Cr  Cr25  1  0.984  0.635  0.635  1.0
[/CIF]
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