The material described by Tm2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form distorted TmSi8Pd4 cuboctahedra that share edges with four equivalent Tm(2)Si12 cuboctahedra, edges with eight equivalent Tm(1)Si8Pd4 cuboctahedra, faces with two equivalent Tm(2)Si12 cuboctahedra, and faces with six equivalent Tm(1)Si8Pd4 cuboctahedra. In the second Tm site, Tm(2) is bonded to twelve equivalent Si(1) atoms to form TmSi12 cuboctahedra that share edges with twelve equivalent Tm(1)Si8Pd4 cuboctahedra, faces with two equivalent Tm(2)Si12 cuboctahedra, and faces with six equivalent Tm(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Tm(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Tm(2), four equivalent Tm(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Tm2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.164
_cell_length_b   8.164
_cell_length_c   7.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   446.652
_cell_formula_units_Z   4
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  0.513  0.025  0.250  1.0
  Tm  Tm1  1  0.487  0.975  0.750  1.0
  Tm  Tm2  1  0.975  0.487  0.250  1.0
  Tm  Tm3  1  0.025  0.513  0.750  1.0
  Tm  Tm4  1  0.513  0.487  0.250  1.0
  Tm  Tm5  1  0.487  0.513  0.750  1.0
  Tm  Tm6  1  0.000  0.000  0.250  1.0
  Tm  Tm7  1  0.000  0.000  0.750  1.0
  Si  Si8  1  0.166  0.332  0.002  1.0
  Si  Si9  1  0.834  0.668  0.998  1.0
  Si  Si10  1  0.668  0.834  0.002  1.0
  Si  Si11  1  0.834  0.668  0.502  1.0
  Si  Si12  1  0.332  0.166  0.998  1.0
  Si  Si13  1  0.166  0.332  0.498  1.0
  Si  Si14  1  0.166  0.834  0.002  1.0
  Si  Si15  1  0.332  0.166  0.502  1.0
  Si  Si16  1  0.834  0.166  0.998  1.0
  Si  Si17  1  0.668  0.834  0.498  1.0
  Si  Si18  1  0.834  0.166  0.502  1.0
  Si  Si19  1  0.166  0.834  0.498  1.0
  Pd  Pd20  1  0.333  0.667  0.046  1.0
  Pd  Pd21  1  0.667  0.333  0.954  1.0
  Pd  Pd22  1  0.667  0.333  0.546  1.0
  Pd  Pd23  1  0.333  0.667  0.454  1.0
[/CIF]
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The material described by Tm2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form distorted TmSi8Pd4 cuboctahedra that share edges with four equivalent Tm(2)Si12 cuboctahedra, edges with eight equivalent Tm(1)Si8Pd4 cuboctahedra, faces with two equivalent Tm(2)Si12 cuboctahedra, and faces with six equivalent Tm(1)Si8Pd4 cuboctahedra. In the second Tm site, Tm(2) is bonded to twelve equivalent Si(1) atoms to form TmSi12 cuboctahedra that share edges with twelve equivalent Tm(1)Si8Pd4 cuboctahedra, faces with two equivalent Tm(2)Si12 cuboctahedra, and faces with six equivalent Tm(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Tm(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Tm(2), four equivalent Tm(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Tm2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.164
_cell_length_b   8.164
_cell_length_c   7.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   446.652
_cell_formula_units_Z   4
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  0.513  0.025  0.250  1.0
  Tm  Tm1  1  0.487  0.975  0.750  1.0
  Tm  Tm2  1  0.975  0.487  0.250  1.0
  Tm  Tm3  1  0.025  0.513  0.750  1.0
  Tm  Tm4  1  0.513  0.487  0.250  1.0
  Tm  Tm5  1  0.487  0.513  0.750  1.0
  Tm  Tm6  1  0.000  0.000  0.250  1.0
  Tm  Tm7  1  0.000  0.000  0.750  1.0
  Si  Si8  1  0.166  0.332  0.002  1.0
  Si  Si9  1  0.834  0.668  0.998  1.0
  Si  Si10  1  0.668  0.834  0.002  1.0
  Si  Si11  1  0.834  0.668  0.502  1.0
  Si  Si12  1  0.332  0.166  0.998  1.0
  Si  Si13  1  0.166  0.332  0.498  1.0
  Si  Si14  1  0.166  0.834  0.002  1.0
  Si  Si15  1  0.332  0.166  0.502  1.0
  Si  Si16  1  0.834  0.166  0.998  1.0
  Si  Si17  1  0.668  0.834  0.498  1.0
  Si  Si18  1  0.834  0.166  0.502  1.0
  Si  Si19  1  0.166  0.834  0.498  1.0
  Pd  Pd20  1  0.333  0.667  0.046  1.0
  Pd  Pd21  1  0.667  0.333  0.954  1.0
  Pd  Pd22  1  0.667  0.333  0.546  1.0
  Pd  Pd23  1  0.333  0.667  0.454  1.0
[/CIF]
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