The crystal structure described by Sm5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to two equivalent Sm(2) and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Sm(2) and eight equivalent Sm(1) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Sm(1) and two equivalent Tl(2) atoms. is represented by the CIF card [CIF]
data_Sm5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.298
_cell_length_b   9.356
_cell_length_c   9.356
_cell_angle_alpha   83.495
_cell_angle_beta   70.330
_cell_angle_gamma   70.330
_symmetry_Int_Tables_number   1
_cell_volume   488.852
_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
  Sm  Sm0  1  0.218  0.697  0.866  1.0
  Sm  Sm1  1  0.782  0.303  0.134  1.0
  Sm  Sm2  1  0.282  0.134  0.303  1.0
  Sm  Sm3  1  0.718  0.866  0.697  1.0
  Sm  Sm4  1  0.085  0.134  0.697  1.0
  Sm  Sm5  1  0.915  0.866  0.303  1.0
  Sm  Sm6  1  0.585  0.697  0.134  1.0
  Sm  Sm7  1  0.415  0.303  0.866  1.0
  Sm  Sm8  1  0.750  0.500  0.500  1.0
  Sm  Sm9  1  0.250  0.500  0.500  1.0
  Tl  Tl10  1  0.661  0.179  0.500  1.0
  Tl  Tl11  1  0.339  0.821  0.500  1.0
  Tl  Tl12  1  0.839  0.500  0.821  1.0
  Tl  Tl13  1  0.161  0.500  0.179  1.0
  Tl  Tl14  1  0.250  0.000  0.000  1.0
  Tl  Tl15  1  0.750  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sm5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to two equivalent Sm(2) and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Sm(2) and eight equivalent Sm(1) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Sm(1) and two equivalent Tl(2) atoms. is represented by the CIF card [CIF]
data_Sm5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.298
_cell_length_b   9.356
_cell_length_c   9.356
_cell_angle_alpha   83.495
_cell_angle_beta   70.330
_cell_angle_gamma   70.330
_symmetry_Int_Tables_number   1
_cell_volume   488.852
_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
  Sm  Sm0  1  0.218  0.697  0.866  1.0
  Sm  Sm1  1  0.782  0.303  0.134  1.0
  Sm  Sm2  1  0.282  0.134  0.303  1.0
  Sm  Sm3  1  0.718  0.866  0.697  1.0
  Sm  Sm4  1  0.085  0.134  0.697  1.0
  Sm  Sm5  1  0.915  0.866  0.303  1.0
  Sm  Sm6  1  0.585  0.697  0.134  1.0
  Sm  Sm7  1  0.415  0.303  0.866  1.0
  Sm  Sm8  1  0.750  0.500  0.500  1.0
  Sm  Sm9  1  0.250  0.500  0.500  1.0
  Tl  Tl10  1  0.661  0.179  0.500  1.0
  Tl  Tl11  1  0.339  0.821  0.500  1.0
  Tl  Tl12  1  0.839  0.500  0.821  1.0
  Tl  Tl13  1  0.161  0.500  0.179  1.0
  Tl  Tl14  1  0.250  0.000  0.000  1.0
  Tl  Tl15  1  0.750  0.000  0.000  1.0
[/CIF]
.