The material structure described by TmFe6Sn6 crystallizes in the hexagonal P6/mmm space group. Tm(1) is bonded to twelve equivalent Fe(1), two equivalent Sn(3), and six equivalent Sn(1) atoms to form distorted TmFe12Sn8 hexagonal bipyramids that share faces with twenty-four equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra and faces with six equivalent Tm(1)Fe12Sn8 hexagonal bipyramids. Fe(1) is bonded to two equivalent Tm(1), four equivalent Fe(1), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form distorted FeTm2Fe4Sn6 cuboctahedra that share corners with fourteen equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra, edges with seven equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra, faces with nine equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra, and faces with four equivalent Tm(1)Fe12Sn8 hexagonal bipyramids. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1) and six equivalent Fe(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Tm(1), six equivalent Fe(1), and one Sn(3) atom. is represented by the CIF card [CIF]
data_Tm(FeSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.412
_cell_length_c   8.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   226.166
_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
  Fe  Fe1  1  0.500  0.500  0.754  1.0
  Fe  Fe2  1  0.500  0.000  0.754  1.0
  Fe  Fe3  1  0.000  0.500  0.754  1.0
  Fe  Fe4  1  0.500  0.500  0.246  1.0
  Fe  Fe5  1  0.500  0.000  0.246  1.0
  Fe  Fe6  1  0.000  0.500  0.246  1.0
  Sn  Sn7  1  0.667  0.333  0.000  1.0
  Sn  Sn8  1  0.333  0.667  0.000  1.0
  Sn  Sn9  1  0.667  0.333  0.500  1.0
  Sn  Sn10  1  0.333  0.667  0.500  1.0
  Sn  Sn11  1  0.000  0.000  0.663  1.0
  Sn  Sn12  1  0.000  0.000  0.337  1.0
[/CIF]
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The material structure described by TmFe6Sn6 crystallizes in the hexagonal P6/mmm space group. Tm(1) is bonded to twelve equivalent Fe(1), two equivalent Sn(3), and six equivalent Sn(1) atoms to form distorted TmFe12Sn8 hexagonal bipyramids that share faces with twenty-four equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra and faces with six equivalent Tm(1)Fe12Sn8 hexagonal bipyramids. Fe(1) is bonded to two equivalent Tm(1), four equivalent Fe(1), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form distorted FeTm2Fe4Sn6 cuboctahedra that share corners with fourteen equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra, edges with seven equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra, faces with nine equivalent Fe(1)Tm2Fe4Sn6 cuboctahedra, and faces with four equivalent Tm(1)Fe12Sn8 hexagonal bipyramids. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1) and six equivalent Fe(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Tm(1), six equivalent Fe(1), and one Sn(3) atom. is represented by the CIF card [CIF]
data_Tm(FeSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.412
_cell_length_c   8.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   226.166
_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
  Fe  Fe1  1  0.500  0.500  0.754  1.0
  Fe  Fe2  1  0.500  0.000  0.754  1.0
  Fe  Fe3  1  0.000  0.500  0.754  1.0
  Fe  Fe4  1  0.500  0.500  0.246  1.0
  Fe  Fe5  1  0.500  0.000  0.246  1.0
  Fe  Fe6  1  0.000  0.500  0.246  1.0
  Sn  Sn7  1  0.667  0.333  0.000  1.0
  Sn  Sn8  1  0.333  0.667  0.000  1.0
  Sn  Sn9  1  0.667  0.333  0.500  1.0
  Sn  Sn10  1  0.333  0.667  0.500  1.0
  Sn  Sn11  1  0.000  0.000  0.663  1.0
  Sn  Sn12  1  0.000  0.000  0.337  1.0
[/CIF]
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