The material structure described by Er3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Er sites. In the first Er site, Er(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 Er site, Er(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 Er(1), four equivalent Er(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 Er(1), four equivalent Er(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 Er(1), four equivalent Er(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Er3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   10.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.696
_symmetry_Int_Tables_number   1
_cell_volume   431.122
_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
  Er  Er0  1  0.617  0.617  0.250  1.0
  Er  Er1  1  0.383  0.383  0.750  1.0
  Er  Er2  1  0.795  0.205  0.500  1.0
  Er  Er3  1  0.795  0.205  0.000  1.0
  Er  Er4  1  0.205  0.795  0.500  1.0
  Er  Er5  1  0.205  0.795  0.000  1.0
  Tl  Tl6  1  0.002  0.002  0.250  1.0
  Tl  Tl7  1  0.998  0.998  0.750  1.0
  Tl  Tl8  1  0.302  0.302  0.043  1.0
  Tl  Tl9  1  0.698  0.698  0.957  1.0
  Tl  Tl10  1  0.302  0.302  0.457  1.0
  Tl  Tl11  1  0.698  0.698  0.543  1.0
  Tl  Tl12  1  0.062  0.516  0.250  1.0
  Tl  Tl13  1  0.484  0.938  0.750  1.0
  Tl  Tl14  1  0.938  0.484  0.750  1.0
  Tl  Tl15  1  0.516  0.062  0.250  1.0
[/CIF]
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The material structure described by Er3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Er sites. In the first Er site, Er(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 Er site, Er(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 Er(1), four equivalent Er(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 Er(1), four equivalent Er(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 Er(1), four equivalent Er(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Er3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   10.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.696
_symmetry_Int_Tables_number   1
_cell_volume   431.122
_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
  Er  Er0  1  0.617  0.617  0.250  1.0
  Er  Er1  1  0.383  0.383  0.750  1.0
  Er  Er2  1  0.795  0.205  0.500  1.0
  Er  Er3  1  0.795  0.205  0.000  1.0
  Er  Er4  1  0.205  0.795  0.500  1.0
  Er  Er5  1  0.205  0.795  0.000  1.0
  Tl  Tl6  1  0.002  0.002  0.250  1.0
  Tl  Tl7  1  0.998  0.998  0.750  1.0
  Tl  Tl8  1  0.302  0.302  0.043  1.0
  Tl  Tl9  1  0.698  0.698  0.957  1.0
  Tl  Tl10  1  0.302  0.302  0.457  1.0
  Tl  Tl11  1  0.698  0.698  0.543  1.0
  Tl  Tl12  1  0.062  0.516  0.250  1.0
  Tl  Tl13  1  0.484  0.938  0.750  1.0
  Tl  Tl14  1  0.938  0.484  0.750  1.0
  Tl  Tl15  1  0.516  0.062  0.250  1.0
[/CIF]
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