The material structure described by Yb(CuAl)6 crystallizes in the orthorhombic Immm space group. Yb(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Yb(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuYb2Al6Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Yb(1), four equivalent Cu(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuYb2Al6Cu4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Yb(1), two equivalent Cu(2), four equivalent Cu(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to one Yb(1), two equivalent Cu(2), four equivalent Cu(1), one Al(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Yb(1), two equivalent Cu(2), four equivalent Cu(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Yb(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   6.579
_cell_length_c   6.579
_cell_angle_alpha   135.748
_cell_angle_beta   99.049
_cell_angle_gamma   97.264
_symmetry_Int_Tables_number   1
_cell_volume   184.043
_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  0.349  0.349  0.000  1.0
  Al  Al2  1  0.651  0.651  0.000  1.0
  Al  Al3  1  0.654  0.000  0.654  1.0
  Al  Al4  1  0.346  0.000  0.346  1.0
  Al  Al5  1  0.798  0.298  0.500  1.0
  Al  Al6  1  0.202  0.702  0.500  1.0
  Cu  Cu7  1  0.500  0.000  0.000  1.0
  Cu  Cu8  1  0.500  0.500  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Cu  Cu10  1  0.000  0.500  0.000  1.0
  Cu  Cu11  1  0.228  0.500  0.728  1.0
  Cu  Cu12  1  0.772  0.500  0.272  1.0
[/CIF]
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The material structure described by Yb(CuAl)6 crystallizes in the orthorhombic Immm space group. Yb(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Yb(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuYb2Al6Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Yb(1), four equivalent Cu(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuYb2Al6Cu4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Yb(1), two equivalent Cu(2), four equivalent Cu(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to one Yb(1), two equivalent Cu(2), four equivalent Cu(1), one Al(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Yb(1), two equivalent Cu(2), four equivalent Cu(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Yb(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   6.579
_cell_length_c   6.579
_cell_angle_alpha   135.748
_cell_angle_beta   99.049
_cell_angle_gamma   97.264
_symmetry_Int_Tables_number   1
_cell_volume   184.043
_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  0.349  0.349  0.000  1.0
  Al  Al2  1  0.651  0.651  0.000  1.0
  Al  Al3  1  0.654  0.000  0.654  1.0
  Al  Al4  1  0.346  0.000  0.346  1.0
  Al  Al5  1  0.798  0.298  0.500  1.0
  Al  Al6  1  0.202  0.702  0.500  1.0
  Cu  Cu7  1  0.500  0.000  0.000  1.0
  Cu  Cu8  1  0.500  0.500  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Cu  Cu10  1  0.000  0.500  0.000  1.0
  Cu  Cu11  1  0.228  0.500  0.728  1.0
  Cu  Cu12  1  0.772  0.500  0.272  1.0
[/CIF]
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