The crystal structure described by YbCu5Al crystallizes in the tetragonal I-4m2 space group. Yb(1) is bonded to twelve Cu(1,1,1) atoms to form a mixture of distorted face and edge-sharing YbCu12 cuboctahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Yb(1); two equivalent Cu(2); four Cu(1,1); and two equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Yb(1); two equivalent Cu(2); four Cu(1,1); and two equivalent Al(1) atoms. In the third Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Yb(1); two equivalent Cu(2); four Cu(1,1); and two equivalent Al(1) atoms. In the fourth Cu site, Cu(2) is bonded in a distorted linear geometry to eight Cu(1,1,1) and two equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent Cu(2) and eight Cu(1,1,1) atoms. is represented by the CIF card [CIF]
data_YbAlCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.066
_cell_length_c   5.066
_cell_angle_alpha   103.301
_cell_angle_beta   103.301
_cell_angle_gamma   122.674
_symmetry_Int_Tables_number   1
_cell_volume   96.013
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.694  0.306  0.000  1.0
  Cu  Cu3  1  0.306  0.694  0.000  1.0
  Cu  Cu4  1  0.306  0.306  0.612  1.0
  Cu  Cu5  1  0.694  0.694  0.388  1.0
  Cu  Cu6  1  0.750  0.250  0.500  1.0
[/CIF]
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The crystal structure described by YbCu5Al crystallizes in the tetragonal I-4m2 space group. Yb(1) is bonded to twelve Cu(1,1,1) atoms to form a mixture of distorted face and edge-sharing YbCu12 cuboctahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Yb(1); two equivalent Cu(2); four Cu(1,1); and two equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Yb(1); two equivalent Cu(2); four Cu(1,1); and two equivalent Al(1) atoms. In the third Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Yb(1); two equivalent Cu(2); four Cu(1,1); and two equivalent Al(1) atoms. In the fourth Cu site, Cu(2) is bonded in a distorted linear geometry to eight Cu(1,1,1) and two equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent Cu(2) and eight Cu(1,1,1) atoms. is represented by the CIF card [CIF]
data_YbAlCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.066
_cell_length_c   5.066
_cell_angle_alpha   103.301
_cell_angle_beta   103.301
_cell_angle_gamma   122.674
_symmetry_Int_Tables_number   1
_cell_volume   96.013
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.694  0.306  0.000  1.0
  Cu  Cu3  1  0.306  0.694  0.000  1.0
  Cu  Cu4  1  0.306  0.306  0.612  1.0
  Cu  Cu5  1  0.694  0.694  0.388  1.0
  Cu  Cu6  1  0.750  0.250  0.500  1.0
[/CIF]
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