The material described by Tm(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded in a 20-coordinate geometry to eight equivalent Cu(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Cu(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Tm(1), four equivalent Cu(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Tm(1), four equivalent Cu(1), one Al(2), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   6.660
_cell_length_c   6.660
_cell_angle_alpha   98.379
_cell_angle_beta   67.615
_cell_angle_gamma   112.385
_symmetry_Int_Tables_number   1
_cell_volume   192.350
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.218  0.218  1.0
  Al  Al2  1  0.282  0.782  0.218  1.0
  Al  Al3  1  0.652  0.652  0.348  1.0
  Al  Al4  1  0.000  0.348  0.348  1.0
  Al  Al5  1  0.348  0.348  0.652  1.0
  Al  Al6  1  0.000  0.652  0.652  1.0
  Al  Al7  1  0.718  0.218  0.782  1.0
  Al  Al8  1  0.500  0.782  0.782  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 described by Tm(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded in a 20-coordinate geometry to eight equivalent Cu(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Cu(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Tm(1), four equivalent Cu(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Tm(1), four equivalent Cu(1), one Al(2), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   6.660
_cell_length_c   6.660
_cell_angle_alpha   98.379
_cell_angle_beta   67.615
_cell_angle_gamma   112.385
_symmetry_Int_Tables_number   1
_cell_volume   192.350
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.218  0.218  1.0
  Al  Al2  1  0.282  0.782  0.218  1.0
  Al  Al3  1  0.652  0.652  0.348  1.0
  Al  Al4  1  0.000  0.348  0.348  1.0
  Al  Al5  1  0.348  0.348  0.652  1.0
  Al  Al6  1  0.000  0.652  0.652  1.0
  Al  Al7  1  0.718  0.218  0.782  1.0
  Al  Al8  1  0.500  0.782  0.782  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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