The crystal structure described by Tl9SmTe6 crystallizes in the tetragonal I4/m space group. Sm(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form SmTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form TlTe6 octahedra that share corners with six equivalent Sm(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to one Te(2) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Sm(1) and one Tl(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Sm(1), one Tl(1), and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm(Tl3Te2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.046
_cell_length_b   9.046
_cell_length_c   9.315
_cell_angle_alpha   119.050
_cell_angle_beta   119.050
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   554.058
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.000  1.0
  Tl  Tl2  1  0.798  0.314  0.317  1.0
  Tl  Tl3  1  0.518  0.003  0.317  1.0
  Tl  Tl4  1  0.003  0.798  0.317  1.0
  Tl  Tl5  1  0.314  0.518  0.317  1.0
  Tl  Tl6  1  0.202  0.686  0.683  1.0
  Tl  Tl7  1  0.482  0.997  0.683  1.0
  Tl  Tl8  1  0.997  0.202  0.683  1.0
  Tl  Tl9  1  0.686  0.482  0.683  1.0
  Te  Te10  1  0.236  0.236  0.472  1.0
  Te  Te11  1  0.764  0.764  0.528  1.0
  Te  Te12  1  0.850  0.322  0.000  1.0
  Te  Te13  1  0.150  0.678  0.000  1.0
  Te  Te14  1  0.678  0.850  0.000  1.0
  Te  Te15  1  0.322  0.150  0.000  1.0
[/CIF]
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The crystal structure described by Tl9SmTe6 crystallizes in the tetragonal I4/m space group. Sm(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form SmTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form TlTe6 octahedra that share corners with six equivalent Sm(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to one Te(2) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Sm(1) and one Tl(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Sm(1), one Tl(1), and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm(Tl3Te2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.046
_cell_length_b   9.046
_cell_length_c   9.315
_cell_angle_alpha   119.050
_cell_angle_beta   119.050
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   554.058
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.000  1.0
  Tl  Tl2  1  0.798  0.314  0.317  1.0
  Tl  Tl3  1  0.518  0.003  0.317  1.0
  Tl  Tl4  1  0.003  0.798  0.317  1.0
  Tl  Tl5  1  0.314  0.518  0.317  1.0
  Tl  Tl6  1  0.202  0.686  0.683  1.0
  Tl  Tl7  1  0.482  0.997  0.683  1.0
  Tl  Tl8  1  0.997  0.202  0.683  1.0
  Tl  Tl9  1  0.686  0.482  0.683  1.0
  Te  Te10  1  0.236  0.236  0.472  1.0
  Te  Te11  1  0.764  0.764  0.528  1.0
  Te  Te12  1  0.850  0.322  0.000  1.0
  Te  Te13  1  0.150  0.678  0.000  1.0
  Te  Te14  1  0.678  0.850  0.000  1.0
  Te  Te15  1  0.322  0.150  0.000  1.0
[/CIF]
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