The material described by Tm12Fe2Pb3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 3-coordinate geometry to one Fe(1), one Pb(2), and two equivalent Pb(1) atoms. In the second Tm site, Tm(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Pb(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1), four equivalent Tm(2), and one Fe(1) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form a mixture of distorted face and corner-sharing PbTm12 cuboctahedra. In the second Pb site, Pb(2) is bonded in a body-centered cubic geometry to eight equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm12Fe2Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.401
_cell_length_b   8.401
_cell_length_c   8.401
_cell_angle_alpha   109.927
_cell_angle_beta   109.927
_cell_angle_gamma   108.564
_symmetry_Int_Tables_number   1
_cell_volume   456.415
_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  0.454  0.208  0.246  1.0
  Tm  Tm1  1  0.546  0.792  0.754  1.0
  Tm  Tm2  1  0.962  0.208  0.754  1.0
  Tm  Tm3  1  0.208  0.962  0.754  1.0
  Tm  Tm4  1  0.038  0.792  0.246  1.0
  Tm  Tm5  1  0.792  0.038  0.246  1.0
  Tm  Tm6  1  0.208  0.454  0.246  1.0
  Tm  Tm7  1  0.792  0.546  0.754  1.0
  Tm  Tm8  1  0.310  0.310  0.620  1.0
  Tm  Tm9  1  0.690  0.690  0.380  1.0
  Tm  Tm10  1  0.310  0.690  0.000  1.0
  Tm  Tm11  1  0.690  0.310  0.000  1.0
  Fe  Fe12  1  0.380  0.380  0.000  1.0
  Fe  Fe13  1  0.620  0.620  0.000  1.0
  Pb  Pb14  1  0.500  0.000  0.500  1.0
  Pb  Pb15  1  0.000  0.500  0.500  1.0
  Pb  Pb16  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Tm12Fe2Pb3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 3-coordinate geometry to one Fe(1), one Pb(2), and two equivalent Pb(1) atoms. In the second Tm site, Tm(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Pb(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1), four equivalent Tm(2), and one Fe(1) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form a mixture of distorted face and corner-sharing PbTm12 cuboctahedra. In the second Pb site, Pb(2) is bonded in a body-centered cubic geometry to eight equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm12Fe2Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.401
_cell_length_b   8.401
_cell_length_c   8.401
_cell_angle_alpha   109.927
_cell_angle_beta   109.927
_cell_angle_gamma   108.564
_symmetry_Int_Tables_number   1
_cell_volume   456.415
_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  0.454  0.208  0.246  1.0
  Tm  Tm1  1  0.546  0.792  0.754  1.0
  Tm  Tm2  1  0.962  0.208  0.754  1.0
  Tm  Tm3  1  0.208  0.962  0.754  1.0
  Tm  Tm4  1  0.038  0.792  0.246  1.0
  Tm  Tm5  1  0.792  0.038  0.246  1.0
  Tm  Tm6  1  0.208  0.454  0.246  1.0
  Tm  Tm7  1  0.792  0.546  0.754  1.0
  Tm  Tm8  1  0.310  0.310  0.620  1.0
  Tm  Tm9  1  0.690  0.690  0.380  1.0
  Tm  Tm10  1  0.310  0.690  0.000  1.0
  Tm  Tm11  1  0.690  0.310  0.000  1.0
  Fe  Fe12  1  0.380  0.380  0.000  1.0
  Fe  Fe13  1  0.620  0.620  0.000  1.0
  Pb  Pb14  1  0.500  0.000  0.500  1.0
  Pb  Pb15  1  0.000  0.500  0.500  1.0
  Pb  Pb16  1  0.000  0.000  0.000  1.0
[/CIF]
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