The material described by Sm3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to two equivalent Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 11-coordinate geometry to one Sm(1), four equivalent Sm(2), two equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Tl(1), one Tl(2), and two equivalent Tl(3) atoms. In the third Tl site, Tl(3) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Sm3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.655
_cell_length_b   6.655
_cell_length_c   10.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.000
_symmetry_Int_Tables_number   1
_cell_volume   455.230
_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  0.625  0.625  0.250  1.0
  Sm  Sm1  1  0.375  0.375  0.750  1.0
  Sm  Sm2  1  0.798  0.202  0.500  1.0
  Sm  Sm3  1  0.798  0.202  0.000  1.0
  Sm  Sm4  1  0.202  0.798  0.500  1.0
  Sm  Sm5  1  0.202  0.798  0.000  1.0
  Tl  Tl6  1  0.003  0.003  0.250  1.0
  Tl  Tl7  1  0.997  0.997  0.750  1.0
  Tl  Tl8  1  0.306  0.306  0.050  1.0
  Tl  Tl9  1  0.694  0.694  0.950  1.0
  Tl  Tl10  1  0.306  0.306  0.450  1.0
  Tl  Tl11  1  0.694  0.694  0.550  1.0
  Tl  Tl12  1  0.059  0.511  0.250  1.0
  Tl  Tl13  1  0.489  0.941  0.750  1.0
  Tl  Tl14  1  0.941  0.489  0.750  1.0
  Tl  Tl15  1  0.511  0.059  0.250  1.0
[/CIF]
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The material described by Sm3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to two equivalent Tl(1), four equivalent Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 11-coordinate geometry to one Sm(1), four equivalent Sm(2), two equivalent Tl(2), and four equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Tl(1), one Tl(2), and two equivalent Tl(3) atoms. In the third Tl site, Tl(3) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Sm3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.655
_cell_length_b   6.655
_cell_length_c   10.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.000
_symmetry_Int_Tables_number   1
_cell_volume   455.230
_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  0.625  0.625  0.250  1.0
  Sm  Sm1  1  0.375  0.375  0.750  1.0
  Sm  Sm2  1  0.798  0.202  0.500  1.0
  Sm  Sm3  1  0.798  0.202  0.000  1.0
  Sm  Sm4  1  0.202  0.798  0.500  1.0
  Sm  Sm5  1  0.202  0.798  0.000  1.0
  Tl  Tl6  1  0.003  0.003  0.250  1.0
  Tl  Tl7  1  0.997  0.997  0.750  1.0
  Tl  Tl8  1  0.306  0.306  0.050  1.0
  Tl  Tl9  1  0.694  0.694  0.950  1.0
  Tl  Tl10  1  0.306  0.306  0.450  1.0
  Tl  Tl11  1  0.694  0.694  0.550  1.0
  Tl  Tl12  1  0.059  0.511  0.250  1.0
  Tl  Tl13  1  0.489  0.941  0.750  1.0
  Tl  Tl14  1  0.941  0.489  0.750  1.0
  Tl  Tl15  1  0.511  0.059  0.250  1.0
[/CIF]
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