The material structure described by Tm2(PdAl3)3 crystallizes in the orthorhombic Cmcm space group. Tm(1) is bonded in a 17-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), one Al(1), two equivalent Al(3), two equivalent Al(4), and six equivalent Al(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Tm(1), two equivalent Al(3), two equivalent Al(4), and four equivalent Al(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Tm(1), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Tm(1) and two equivalent Pd(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Tm(1), one Pd(2), two equivalent Pd(1), and one Al(3) atom. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to two equivalent Tm(1), one Pd(2), two equivalent Pd(1), one Al(3), two equivalent Al(2), and two equivalent Al(4) atoms. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to two equivalent Tm(1), two equivalent Pd(1), and two equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2(Al3Pd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.630
_cell_length_b   7.630
_cell_length_c   9.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.746
_symmetry_Int_Tables_number   1
_cell_volume   477.019
_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  0.994  0.669  0.250  1.0
  Tm  Tm1  1  0.006  0.331  0.750  1.0
  Tm  Tm2  1  0.669  0.994  0.250  1.0
  Tm  Tm3  1  0.331  0.006  0.750  1.0
  Al  Al4  1  0.127  0.127  0.250  1.0
  Al  Al5  1  0.873  0.873  0.750  1.0
  Al  Al6  1  1.000  0.334  0.077  1.0
  Al  Al7  1  0.000  0.666  0.923  1.0
  Al  Al8  1  0.000  0.666  0.577  1.0
  Al  Al9  1  0.334  1.000  0.423  1.0
  Al  Al10  1  1.000  0.334  0.423  1.0
  Al  Al11  1  0.666  0.000  0.577  1.0
  Al  Al12  1  0.666  0.000  0.923  1.0
  Al  Al13  1  0.334  1.000  0.077  1.0
  Al  Al14  1  0.333  0.333  0.561  1.0
  Al  Al15  1  0.667  0.667  0.439  1.0
  Al  Al16  1  0.667  0.667  0.061  1.0
  Al  Al17  1  0.333  0.333  0.939  1.0
  Al  Al18  1  0.337  0.546  0.250  1.0
  Al  Al19  1  0.663  0.454  0.750  1.0
  Al  Al20  1  0.546  0.337  0.250  1.0
  Al  Al21  1  0.454  0.663  0.750  1.0
  Pd  Pd22  1  0.671  0.329  0.000  1.0
  Pd  Pd23  1  0.329  0.671  0.000  1.0
  Pd  Pd24  1  0.329  0.671  0.500  1.0
  Pd  Pd25  1  0.671  0.329  0.500  1.0
  Pd  Pd26  1  0.000  0.000  0.000  1.0
  Pd  Pd27  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Tm2(PdAl3)3 crystallizes in the orthorhombic Cmcm space group. Tm(1) is bonded in a 17-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), one Al(1), two equivalent Al(3), two equivalent Al(4), and six equivalent Al(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Tm(1), two equivalent Al(3), two equivalent Al(4), and four equivalent Al(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Tm(1), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Tm(1) and two equivalent Pd(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Tm(1), one Pd(2), two equivalent Pd(1), and one Al(3) atom. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to two equivalent Tm(1), one Pd(2), two equivalent Pd(1), one Al(3), two equivalent Al(2), and two equivalent Al(4) atoms. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to two equivalent Tm(1), two equivalent Pd(1), and two equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2(Al3Pd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.630
_cell_length_b   7.630
_cell_length_c   9.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.746
_symmetry_Int_Tables_number   1
_cell_volume   477.019
_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  0.994  0.669  0.250  1.0
  Tm  Tm1  1  0.006  0.331  0.750  1.0
  Tm  Tm2  1  0.669  0.994  0.250  1.0
  Tm  Tm3  1  0.331  0.006  0.750  1.0
  Al  Al4  1  0.127  0.127  0.250  1.0
  Al  Al5  1  0.873  0.873  0.750  1.0
  Al  Al6  1  1.000  0.334  0.077  1.0
  Al  Al7  1  0.000  0.666  0.923  1.0
  Al  Al8  1  0.000  0.666  0.577  1.0
  Al  Al9  1  0.334  1.000  0.423  1.0
  Al  Al10  1  1.000  0.334  0.423  1.0
  Al  Al11  1  0.666  0.000  0.577  1.0
  Al  Al12  1  0.666  0.000  0.923  1.0
  Al  Al13  1  0.334  1.000  0.077  1.0
  Al  Al14  1  0.333  0.333  0.561  1.0
  Al  Al15  1  0.667  0.667  0.439  1.0
  Al  Al16  1  0.667  0.667  0.061  1.0
  Al  Al17  1  0.333  0.333  0.939  1.0
  Al  Al18  1  0.337  0.546  0.250  1.0
  Al  Al19  1  0.663  0.454  0.750  1.0
  Al  Al20  1  0.546  0.337  0.250  1.0
  Al  Al21  1  0.454  0.663  0.750  1.0
  Pd  Pd22  1  0.671  0.329  0.000  1.0
  Pd  Pd23  1  0.329  0.671  0.000  1.0
  Pd  Pd24  1  0.329  0.671  0.500  1.0
  Pd  Pd25  1  0.671  0.329  0.500  1.0
  Pd  Pd26  1  0.000  0.000  0.000  1.0
  Pd  Pd27  1  0.000  0.000  0.500  1.0
[/CIF]
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