The crystal structure described by LuCuAl crystallizes in the orthorhombic Imma space group. Lu(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1) and six equivalent Al(1) atoms. Cu(1) is bonded to six equivalent Lu(1), two equivalent Cu(1), and four equivalent Al(1) atoms to form CuLu6Al4Cu2 cuboctahedra that share corners with eight equivalent Al(1)Lu6Al2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, edges with six equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, faces with six equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, and faces with twelve equivalent Al(1)Lu6Al2Cu4 cuboctahedra. Al(1) is bonded to six equivalent Lu(1), four equivalent Cu(1), and two equivalent Al(1) atoms to form distorted AlLu6Al2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, corners with ten equivalent Al(1)Lu6Al2Cu4 cuboctahedra, edges with six equivalent Al(1)Lu6Al2Cu4 cuboctahedra, faces with six equivalent Al(1)Lu6Al2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Lu6Al4Cu2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   5.254
_cell_length_c   5.254
_cell_angle_alpha   119.380
_cell_angle_beta   118.774
_cell_angle_gamma   91.607
_symmetry_Int_Tables_number   1
_cell_volume   103.966
_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
  Lu  Lu0  1  0.128  0.878  0.250  1.0
  Lu  Lu1  1  0.872  0.122  0.750  1.0
  Al  Al2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by LuCuAl crystallizes in the orthorhombic Imma space group. Lu(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1) and six equivalent Al(1) atoms. Cu(1) is bonded to six equivalent Lu(1), two equivalent Cu(1), and four equivalent Al(1) atoms to form CuLu6Al4Cu2 cuboctahedra that share corners with eight equivalent Al(1)Lu6Al2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, edges with six equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, faces with six equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, and faces with twelve equivalent Al(1)Lu6Al2Cu4 cuboctahedra. Al(1) is bonded to six equivalent Lu(1), four equivalent Cu(1), and two equivalent Al(1) atoms to form distorted AlLu6Al2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Lu6Al4Cu2 cuboctahedra, corners with ten equivalent Al(1)Lu6Al2Cu4 cuboctahedra, edges with six equivalent Al(1)Lu6Al2Cu4 cuboctahedra, faces with six equivalent Al(1)Lu6Al2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Lu6Al4Cu2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   5.254
_cell_length_c   5.254
_cell_angle_alpha   119.380
_cell_angle_beta   118.774
_cell_angle_gamma   91.607
_symmetry_Int_Tables_number   1
_cell_volume   103.966
_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
  Lu  Lu0  1  0.128  0.878  0.250  1.0
  Lu  Lu1  1  0.872  0.122  0.750  1.0
  Al  Al2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
[/CIF]
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