The compound described by TbCuAl crystallizes in the orthorhombic Imma space group. Tb(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 Tb(1), two equivalent Cu(1), and four equivalent Al(1) atoms to form CuTb6Al4Cu2 cuboctahedra that share corners with eight equivalent Al(1)Tb6Al2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, edges with six equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, faces with six equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, and faces with twelve equivalent Al(1)Tb6Al2Cu4 cuboctahedra. Al(1) is bonded to six equivalent Tb(1), four equivalent Cu(1), and two equivalent Al(1) atoms to form AlTb6Al2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, corners with ten equivalent Al(1)Tb6Al2Cu4 cuboctahedra, edges with six equivalent Al(1)Tb6Al2Cu4 cuboctahedra, faces with six equivalent Al(1)Tb6Al2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Tb6Al4Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_TbAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.380
_cell_length_c   5.380
_cell_angle_alpha   119.195
_cell_angle_beta   119.108
_cell_angle_gamma   91.476
_symmetry_Int_Tables_number   1
_cell_volume   111.466
_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
  Tb  Tb0  1  0.124  0.874  0.250  1.0
  Tb  Tb1  1  0.876  0.126  0.750  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by TbCuAl crystallizes in the orthorhombic Imma space group. Tb(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 Tb(1), two equivalent Cu(1), and four equivalent Al(1) atoms to form CuTb6Al4Cu2 cuboctahedra that share corners with eight equivalent Al(1)Tb6Al2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, edges with six equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, faces with six equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, and faces with twelve equivalent Al(1)Tb6Al2Cu4 cuboctahedra. Al(1) is bonded to six equivalent Tb(1), four equivalent Cu(1), and two equivalent Al(1) atoms to form AlTb6Al2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Tb6Al4Cu2 cuboctahedra, corners with ten equivalent Al(1)Tb6Al2Cu4 cuboctahedra, edges with six equivalent Al(1)Tb6Al2Cu4 cuboctahedra, faces with six equivalent Al(1)Tb6Al2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Tb6Al4Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_TbAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.380
_cell_length_c   5.380
_cell_angle_alpha   119.195
_cell_angle_beta   119.108
_cell_angle_gamma   91.476
_symmetry_Int_Tables_number   1
_cell_volume   111.466
_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
  Tb  Tb0  1  0.124  0.874  0.250  1.0
  Tb  Tb1  1  0.876  0.126  0.750  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
[/CIF]
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