The material structure described by Gd(CuAl2)4 crystallizes in the monoclinic C2/m space group. Gd(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), two equivalent Al(3), two equivalent Al(4), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Gd(1), two equivalent Cu(1), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms to form a mixture of distorted face, corner, and edge-sharing CuGd2Al8Cu2 cuboctahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(4) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Gd(1), two equivalent Cu(1), two equivalent Cu(2), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 10-coordinate geometry to one Gd(1), two equivalent Cu(1), two equivalent Cu(2), one Al(4), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   6.692
_cell_length_c   6.692
_cell_angle_alpha   98.459
_cell_angle_beta   67.486
_cell_angle_gamma   112.514
_symmetry_Int_Tables_number   1
_cell_volume   194.743
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.281  0.780  0.220  1.0
  Al  Al2  1  0.500  0.220  0.220  1.0
  Al  Al3  1  0.651  0.651  0.349  1.0
  Al  Al4  1  1.000  0.348  0.348  1.0
  Al  Al5  1  0.000  0.652  0.652  1.0
  Al  Al6  1  0.349  0.349  0.651  1.0
  Al  Al7  1  0.719  0.220  0.780  1.0
  Al  Al8  1  0.500  0.780  0.780  1.0
  Cu  Cu9  1  0.000  0.500  0.000  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Cu  Cu12  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by Gd(CuAl2)4 crystallizes in the monoclinic C2/m space group. Gd(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), two equivalent Al(3), two equivalent Al(4), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Gd(1), two equivalent Cu(1), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms to form a mixture of distorted face, corner, and edge-sharing CuGd2Al8Cu2 cuboctahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(4) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Gd(1), two equivalent Cu(1), two equivalent Cu(2), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 10-coordinate geometry to one Gd(1), two equivalent Cu(1), two equivalent Cu(2), one Al(4), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   6.692
_cell_length_c   6.692
_cell_angle_alpha   98.459
_cell_angle_beta   67.486
_cell_angle_gamma   112.514
_symmetry_Int_Tables_number   1
_cell_volume   194.743
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.281  0.780  0.220  1.0
  Al  Al2  1  0.500  0.220  0.220  1.0
  Al  Al3  1  0.651  0.651  0.349  1.0
  Al  Al4  1  1.000  0.348  0.348  1.0
  Al  Al5  1  0.000  0.652  0.652  1.0
  Al  Al6  1  0.349  0.349  0.651  1.0
  Al  Al7  1  0.719  0.220  0.780  1.0
  Al  Al8  1  0.500  0.780  0.780  1.0
  Cu  Cu9  1  0.000  0.500  0.000  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Cu  Cu12  1  0.500  0.000  0.500  1.0
[/CIF]
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