The material structure described by UCu6Al6 crystallizes in the orthorhombic Fmmm space group. U(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Al(1), and eight equivalent Al(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent U(1), four equivalent Cu(1), and four equivalent Al(2) atoms. In the second Cu site, Cu(1) is bonded in a 10-coordinate geometry to one U(1), one Cu(1), two equivalent Cu(2), two equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent U(1), four equivalent Cu(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Cu(2), four equivalent Cu(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_U(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.734
_cell_length_b   6.716
_cell_length_c   6.614
_cell_angle_alpha   81.865
_cell_angle_beta   49.573
_cell_angle_gamma   48.562
_symmetry_Int_Tables_number   1
_cell_volume   191.221
_cell_formula_units_Z   1
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
  U  U0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.488  0.733  0.267  1.0
  Al  Al4  1  0.512  0.267  0.733  1.0
  Al  Al5  1  0.733  0.488  0.512  1.0
  Al  Al6  1  0.267  0.512  0.488  1.0
  Cu  Cu7  1  0.996  0.651  0.349  1.0
  Cu  Cu8  1  0.004  0.349  0.651  1.0
  Cu  Cu9  1  0.651  0.996  0.004  1.0
  Cu  Cu10  1  0.349  0.004  0.996  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Cu  Cu12  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by UCu6Al6 crystallizes in the orthorhombic Fmmm space group. U(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Al(1), and eight equivalent Al(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent U(1), four equivalent Cu(1), and four equivalent Al(2) atoms. In the second Cu site, Cu(1) is bonded in a 10-coordinate geometry to one U(1), one Cu(1), two equivalent Cu(2), two equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent U(1), four equivalent Cu(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Cu(2), four equivalent Cu(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_U(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.734
_cell_length_b   6.716
_cell_length_c   6.614
_cell_angle_alpha   81.865
_cell_angle_beta   49.573
_cell_angle_gamma   48.562
_symmetry_Int_Tables_number   1
_cell_volume   191.221
_cell_formula_units_Z   1
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
  U  U0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.488  0.733  0.267  1.0
  Al  Al4  1  0.512  0.267  0.733  1.0
  Al  Al5  1  0.733  0.488  0.512  1.0
  Al  Al6  1  0.267  0.512  0.488  1.0
  Cu  Cu7  1  0.996  0.651  0.349  1.0
  Cu  Cu8  1  0.004  0.349  0.651  1.0
  Cu  Cu9  1  0.651  0.996  0.004  1.0
  Cu  Cu10  1  0.349  0.004  0.996  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Cu  Cu12  1  0.500  0.500  0.000  1.0
[/CIF]
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