The material described by TmCuAl crystallizes in the orthorhombic Imma space group. Tm(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 Tm(1), two equivalent Cu(1), and four equivalent Al(1) atoms to form CuTm6Al4Cu2 cuboctahedra that share corners with eight equivalent Al(1)Tm6Al2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, edges with six equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, faces with six equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, and faces with twelve equivalent Al(1)Tm6Al2Cu4 cuboctahedra. Al(1) is bonded to six equivalent Tm(1), four equivalent Cu(1), and two equivalent Al(1) atoms to form AlTm6Al2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, corners with ten equivalent Al(1)Tm6Al2Cu4 cuboctahedra, edges with six equivalent Al(1)Tm6Al2Cu4 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Tm6Al4Cu2 cuboctahedra. is represented by the CIF card [CIF]
data_TmAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.333
_cell_length_b   5.333
_cell_length_c   5.333
_cell_angle_alpha   119.523
_cell_angle_beta   119.411
_cell_angle_gamma   90.925
_symmetry_Int_Tables_number   1
_cell_volume   108.110
_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
  Tm  Tm0  1  0.125  0.875  0.250  1.0
  Tm  Tm1  1  0.875  0.125  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 material described by TmCuAl crystallizes in the orthorhombic Imma space group. Tm(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 Tm(1), two equivalent Cu(1), and four equivalent Al(1) atoms to form CuTm6Al4Cu2 cuboctahedra that share corners with eight equivalent Al(1)Tm6Al2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, edges with six equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, faces with six equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, and faces with twelve equivalent Al(1)Tm6Al2Cu4 cuboctahedra. Al(1) is bonded to six equivalent Tm(1), four equivalent Cu(1), and two equivalent Al(1) atoms to form AlTm6Al2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Tm6Al4Cu2 cuboctahedra, corners with ten equivalent Al(1)Tm6Al2Cu4 cuboctahedra, edges with six equivalent Al(1)Tm6Al2Cu4 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Tm6Al4Cu2 cuboctahedra. is represented by the CIF card [CIF]
data_TmAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.333
_cell_length_b   5.333
_cell_length_c   5.333
_cell_angle_alpha   119.523
_cell_angle_beta   119.411
_cell_angle_gamma   90.925
_symmetry_Int_Tables_number   1
_cell_volume   108.110
_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
  Tm  Tm0  1  0.125  0.875  0.250  1.0
  Tm  Tm1  1  0.875  0.125  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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