The material structure described by Sm2TlI5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), two equivalent I(4), and two equivalent I(5) atoms. In the second Sm site, Sm(2) is bonded to one I(2), one I(3), one I(4), two equivalent I(1), and two equivalent I(5) atoms to form distorted edge-sharing SmI7 pentagonal bipyramids. Tl(1) is bonded in a 4-coordinate geometry to one I(3), one I(4), and two equivalent I(1) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to two equivalent Sm(2) and two equivalent Tl(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one Sm(2) and two equivalent Sm(1) atoms. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(1), and one Tl(1) atom. In the fourth I site, I(4) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(1), and one Tl(1) atom. In the fifth I site, I(5) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of edge and corner-sharing ISm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2TlI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.493
_cell_length_b   9.688
_cell_length_c   14.224
_cell_angle_alpha   88.798
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1170.180
_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
  Sm  Sm0  1  0.050  0.011  0.329  1.0
  Sm  Sm1  1  0.950  0.989  0.671  1.0
  Sm  Sm2  1  0.550  0.989  0.171  1.0
  Sm  Sm3  1  0.450  0.011  0.829  1.0
  Sm  Sm4  1  0.088  0.242  0.992  1.0
  Sm  Sm5  1  0.912  0.758  0.008  1.0
  Sm  Sm6  1  0.588  0.758  0.508  1.0
  Sm  Sm7  1  0.412  0.242  0.492  1.0
  Tl  Tl8  1  0.063  0.490  0.332  1.0
  Tl  Tl9  1  0.937  0.510  0.668  1.0
  Tl  Tl10  1  0.563  0.510  0.168  1.0
  Tl  Tl11  1  0.437  0.490  0.832  1.0
  I  I12  1  0.158  0.530  0.091  1.0
  I  I13  1  0.842  0.470  0.909  1.0
  I  I14  1  0.658  0.470  0.409  1.0
  I  I15  1  0.342  0.530  0.591  1.0
  I  I16  1  0.843  0.216  0.176  1.0
  I  I17  1  0.157  0.784  0.824  1.0
  I  I18  1  0.343  0.784  0.324  1.0
  I  I19  1  0.657  0.216  0.676  1.0
  I  I20  1  0.324  0.226  0.276  1.0
  I  I21  1  0.676  0.774  0.724  1.0
  I  I22  1  0.824  0.774  0.224  1.0
  I  I23  1  0.176  0.226  0.776  1.0
  I  I24  1  0.465  0.218  0.002  1.0
  I  I25  1  0.535  0.782  0.998  1.0
  I  I26  1  0.965  0.782  0.498  1.0
  I  I27  1  0.035  0.218  0.502  1.0
  I  I28  1  0.664  0.040  0.394  1.0
  I  I29  1  0.336  0.960  0.606  1.0
  I  I30  1  0.164  0.960  0.106  1.0
  I  I31  1  0.836  0.040  0.894  1.0
[/CIF]
.
The material structure described by Sm2TlI5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), two equivalent I(4), and two equivalent I(5) atoms. In the second Sm site, Sm(2) is bonded to one I(2), one I(3), one I(4), two equivalent I(1), and two equivalent I(5) atoms to form distorted edge-sharing SmI7 pentagonal bipyramids. Tl(1) is bonded in a 4-coordinate geometry to one I(3), one I(4), and two equivalent I(1) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to two equivalent Sm(2) and two equivalent Tl(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one Sm(2) and two equivalent Sm(1) atoms. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(1), and one Tl(1) atom. In the fourth I site, I(4) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(1), and one Tl(1) atom. In the fifth I site, I(5) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of edge and corner-sharing ISm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2TlI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.493
_cell_length_b   9.688
_cell_length_c   14.224
_cell_angle_alpha   88.798
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1170.180
_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
  Sm  Sm0  1  0.050  0.011  0.329  1.0
  Sm  Sm1  1  0.950  0.989  0.671  1.0
  Sm  Sm2  1  0.550  0.989  0.171  1.0
  Sm  Sm3  1  0.450  0.011  0.829  1.0
  Sm  Sm4  1  0.088  0.242  0.992  1.0
  Sm  Sm5  1  0.912  0.758  0.008  1.0
  Sm  Sm6  1  0.588  0.758  0.508  1.0
  Sm  Sm7  1  0.412  0.242  0.492  1.0
  Tl  Tl8  1  0.063  0.490  0.332  1.0
  Tl  Tl9  1  0.937  0.510  0.668  1.0
  Tl  Tl10  1  0.563  0.510  0.168  1.0
  Tl  Tl11  1  0.437  0.490  0.832  1.0
  I  I12  1  0.158  0.530  0.091  1.0
  I  I13  1  0.842  0.470  0.909  1.0
  I  I14  1  0.658  0.470  0.409  1.0
  I  I15  1  0.342  0.530  0.591  1.0
  I  I16  1  0.843  0.216  0.176  1.0
  I  I17  1  0.157  0.784  0.824  1.0
  I  I18  1  0.343  0.784  0.324  1.0
  I  I19  1  0.657  0.216  0.676  1.0
  I  I20  1  0.324  0.226  0.276  1.0
  I  I21  1  0.676  0.774  0.724  1.0
  I  I22  1  0.824  0.774  0.224  1.0
  I  I23  1  0.176  0.226  0.776  1.0
  I  I24  1  0.465  0.218  0.002  1.0
  I  I25  1  0.535  0.782  0.998  1.0
  I  I26  1  0.965  0.782  0.498  1.0
  I  I27  1  0.035  0.218  0.502  1.0
  I  I28  1  0.664  0.040  0.394  1.0
  I  I29  1  0.336  0.960  0.606  1.0
  I  I30  1  0.164  0.960  0.106  1.0
  I  I31  1  0.836  0.040  0.894  1.0
[/CIF]
.