The compound described by La3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(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 La site, La(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 5-coordinate geometry to one La(1), four equivalent La(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 La(1), four equivalent La(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 La(1), four equivalent La(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_La3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   10.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.911
_symmetry_Int_Tables_number   1
_cell_volume   493.063
_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
  La  La0  1  0.636  0.636  0.250  1.0
  La  La1  1  0.364  0.364  0.750  1.0
  La  La2  1  0.798  0.202  0.500  1.0
  La  La3  1  0.798  0.202  0.000  1.0
  La  La4  1  0.202  0.798  0.500  1.0
  La  La5  1  0.202  0.798  0.000  1.0
  Tl  Tl6  1  0.005  0.005  0.250  1.0
  Tl  Tl7  1  0.995  0.995  0.750  1.0
  Tl  Tl8  1  0.305  0.305  0.055  1.0
  Tl  Tl9  1  0.695  0.695  0.945  1.0
  Tl  Tl10  1  0.305  0.305  0.445  1.0
  Tl  Tl11  1  0.695  0.695  0.555  1.0
  Tl  Tl12  1  0.062  0.506  0.250  1.0
  Tl  Tl13  1  0.494  0.938  0.750  1.0
  Tl  Tl14  1  0.938  0.494  0.750  1.0
  Tl  Tl15  1  0.506  0.062  0.250  1.0
[/CIF]
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The compound described by La3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(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 La site, La(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 5-coordinate geometry to one La(1), four equivalent La(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 La(1), four equivalent La(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 La(1), four equivalent La(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_La3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   10.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.911
_symmetry_Int_Tables_number   1
_cell_volume   493.063
_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
  La  La0  1  0.636  0.636  0.250  1.0
  La  La1  1  0.364  0.364  0.750  1.0
  La  La2  1  0.798  0.202  0.500  1.0
  La  La3  1  0.798  0.202  0.000  1.0
  La  La4  1  0.202  0.798  0.500  1.0
  La  La5  1  0.202  0.798  0.000  1.0
  Tl  Tl6  1  0.005  0.005  0.250  1.0
  Tl  Tl7  1  0.995  0.995  0.750  1.0
  Tl  Tl8  1  0.305  0.305  0.055  1.0
  Tl  Tl9  1  0.695  0.695  0.945  1.0
  Tl  Tl10  1  0.305  0.305  0.445  1.0
  Tl  Tl11  1  0.695  0.695  0.555  1.0
  Tl  Tl12  1  0.062  0.506  0.250  1.0
  Tl  Tl13  1  0.494  0.938  0.750  1.0
  Tl  Tl14  1  0.938  0.494  0.750  1.0
  Tl  Tl15  1  0.506  0.062  0.250  1.0
[/CIF]
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