The compound described by Tm6Cu16Al7 crystallizes in the cubic Fm-3m space group. Tm(1) is bonded in a 12-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Tm(1), three equivalent Cu(1), three equivalent Cu(2), and three equivalent Al(1) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to three equivalent Tm(1), three equivalent Cu(1), one Al(2), and three equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Tm(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form a mixture of distorted face and corner-sharing AlTm4Cu8 cuboctahedra. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Tm6Al7Cu16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.582
_cell_length_b   8.582
_cell_length_c   8.582
_cell_angle_alpha   59.991
_cell_angle_beta   59.991
_cell_angle_gamma   59.991
_symmetry_Int_Tables_number   1
_cell_volume   446.799
_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  0.712  0.288  0.288  1.0
  Tm  Tm1  1  0.288  0.712  0.712  1.0
  Tm  Tm2  1  0.288  0.712  0.288  1.0
  Tm  Tm3  1  0.288  0.288  0.712  1.0
  Tm  Tm4  1  0.712  0.288  0.712  1.0
  Tm  Tm5  1  0.712  0.712  0.288  1.0
  Al  Al6  1  0.500  1.000  0.000  1.0
  Al  Al7  1  1.000  0.500  0.500  1.0
  Al  Al8  1  1.000  0.500  0.000  1.0
  Al  Al9  1  0.000  1.000  0.500  1.0
  Al  Al10  1  0.500  1.000  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Al  Al12  1  1.000  1.000  0.000  1.0
  Cu  Cu13  1  0.327  0.327  0.327  1.0
  Cu  Cu14  1  0.327  0.327  0.020  1.0
  Cu  Cu15  1  0.020  0.327  0.327  1.0
  Cu  Cu16  1  0.327  0.020  0.327  1.0
  Cu  Cu17  1  0.673  0.673  0.673  1.0
  Cu  Cu18  1  0.673  0.673  0.980  1.0
  Cu  Cu19  1  0.673  0.980  0.673  1.0
  Cu  Cu20  1  0.980  0.673  0.673  1.0
  Cu  Cu21  1  0.122  0.122  0.122  1.0
  Cu  Cu22  1  0.122  0.122  0.634  1.0
  Cu  Cu23  1  0.634  0.122  0.122  1.0
  Cu  Cu24  1  0.122  0.634  0.122  1.0
  Cu  Cu25  1  0.878  0.878  0.878  1.0
  Cu  Cu26  1  0.878  0.878  0.366  1.0
  Cu  Cu27  1  0.878  0.366  0.878  1.0
  Cu  Cu28  1  0.366  0.878  0.878  1.0
[/CIF]
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The compound described by Tm6Cu16Al7 crystallizes in the cubic Fm-3m space group. Tm(1) is bonded in a 12-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Tm(1), three equivalent Cu(1), three equivalent Cu(2), and three equivalent Al(1) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to three equivalent Tm(1), three equivalent Cu(1), one Al(2), and three equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Tm(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form a mixture of distorted face and corner-sharing AlTm4Cu8 cuboctahedra. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Tm6Al7Cu16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.582
_cell_length_b   8.582
_cell_length_c   8.582
_cell_angle_alpha   59.991
_cell_angle_beta   59.991
_cell_angle_gamma   59.991
_symmetry_Int_Tables_number   1
_cell_volume   446.799
_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  0.712  0.288  0.288  1.0
  Tm  Tm1  1  0.288  0.712  0.712  1.0
  Tm  Tm2  1  0.288  0.712  0.288  1.0
  Tm  Tm3  1  0.288  0.288  0.712  1.0
  Tm  Tm4  1  0.712  0.288  0.712  1.0
  Tm  Tm5  1  0.712  0.712  0.288  1.0
  Al  Al6  1  0.500  1.000  0.000  1.0
  Al  Al7  1  1.000  0.500  0.500  1.0
  Al  Al8  1  1.000  0.500  0.000  1.0
  Al  Al9  1  0.000  1.000  0.500  1.0
  Al  Al10  1  0.500  1.000  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Al  Al12  1  1.000  1.000  0.000  1.0
  Cu  Cu13  1  0.327  0.327  0.327  1.0
  Cu  Cu14  1  0.327  0.327  0.020  1.0
  Cu  Cu15  1  0.020  0.327  0.327  1.0
  Cu  Cu16  1  0.327  0.020  0.327  1.0
  Cu  Cu17  1  0.673  0.673  0.673  1.0
  Cu  Cu18  1  0.673  0.673  0.980  1.0
  Cu  Cu19  1  0.673  0.980  0.673  1.0
  Cu  Cu20  1  0.980  0.673  0.673  1.0
  Cu  Cu21  1  0.122  0.122  0.122  1.0
  Cu  Cu22  1  0.122  0.122  0.634  1.0
  Cu  Cu23  1  0.634  0.122  0.122  1.0
  Cu  Cu24  1  0.122  0.634  0.122  1.0
  Cu  Cu25  1  0.878  0.878  0.878  1.0
  Cu  Cu26  1  0.878  0.878  0.366  1.0
  Cu  Cu27  1  0.878  0.366  0.878  1.0
  Cu  Cu28  1  0.366  0.878  0.878  1.0
[/CIF]
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