The material described by Nd3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(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 Nd(1), four equivalent Nd(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 Nd(1), four equivalent Nd(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 Nd(1), four equivalent Nd(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Nd3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.626
_cell_length_b   6.626
_cell_length_c   10.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.776
_symmetry_Int_Tables_number   1
_cell_volume   456.712
_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
  Nd  Nd0  1  0.627  0.627  0.250  1.0
  Nd  Nd1  1  0.373  0.373  0.750  1.0
  Nd  Nd2  1  0.797  0.203  0.500  1.0
  Nd  Nd3  1  0.797  0.203  0.000  1.0
  Nd  Nd4  1  0.203  0.797  0.500  1.0
  Nd  Nd5  1  0.203  0.797  0.000  1.0
  Tl  Tl6  1  0.009  0.009  0.250  1.0
  Tl  Tl7  1  0.991  0.991  0.750  1.0
  Tl  Tl8  1  0.307  0.307  0.044  1.0
  Tl  Tl9  1  0.693  0.693  0.956  1.0
  Tl  Tl10  1  0.307  0.307  0.456  1.0
  Tl  Tl11  1  0.693  0.693  0.544  1.0
  Tl  Tl12  1  0.076  0.508  0.250  1.0
  Tl  Tl13  1  0.492  0.924  0.750  1.0
  Tl  Tl14  1  0.924  0.492  0.750  1.0
  Tl  Tl15  1  0.508  0.076  0.250  1.0
[/CIF]
.
The material described by Nd3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(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 Nd(1), four equivalent Nd(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 Nd(1), four equivalent Nd(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 Nd(1), four equivalent Nd(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Nd3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.626
_cell_length_b   6.626
_cell_length_c   10.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.776
_symmetry_Int_Tables_number   1
_cell_volume   456.712
_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
  Nd  Nd0  1  0.627  0.627  0.250  1.0
  Nd  Nd1  1  0.373  0.373  0.750  1.0
  Nd  Nd2  1  0.797  0.203  0.500  1.0
  Nd  Nd3  1  0.797  0.203  0.000  1.0
  Nd  Nd4  1  0.203  0.797  0.500  1.0
  Nd  Nd5  1  0.203  0.797  0.000  1.0
  Tl  Tl6  1  0.009  0.009  0.250  1.0
  Tl  Tl7  1  0.991  0.991  0.750  1.0
  Tl  Tl8  1  0.307  0.307  0.044  1.0
  Tl  Tl9  1  0.693  0.693  0.956  1.0
  Tl  Tl10  1  0.307  0.307  0.456  1.0
  Tl  Tl11  1  0.693  0.693  0.544  1.0
  Tl  Tl12  1  0.076  0.508  0.250  1.0
  Tl  Tl13  1  0.492  0.924  0.750  1.0
  Tl  Tl14  1  0.924  0.492  0.750  1.0
  Tl  Tl15  1  0.508  0.076  0.250  1.0
[/CIF]
.