The structure described by Nd2Tl crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 14-coordinate geometry to two equivalent Nd(1), six equivalent Nd(2), and six equivalent Tl(1) atoms. In the second Nd site, Nd(2) is bonded to six equivalent Nd(1) and five equivalent Tl(1) atoms to form a mixture of distorted face and corner-sharing NdNd6Tl5 trigonal bipyramids. Tl(1) is bonded in a 11-coordinate geometry to five equivalent Nd(2) and six equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   5.568
_cell_length_c   6.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.636
_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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Nd  Nd2  1  0.333  0.667  0.750  1.0
  Nd  Nd3  1  0.667  0.333  0.250  1.0
  Tl  Tl4  1  0.333  0.667  0.250  1.0
  Tl  Tl5  1  0.667  0.333  0.750  1.0
[/CIF]
.
The structure described by Nd2Tl crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 14-coordinate geometry to two equivalent Nd(1), six equivalent Nd(2), and six equivalent Tl(1) atoms. In the second Nd site, Nd(2) is bonded to six equivalent Nd(1) and five equivalent Tl(1) atoms to form a mixture of distorted face and corner-sharing NdNd6Tl5 trigonal bipyramids. Tl(1) is bonded in a 11-coordinate geometry to five equivalent Nd(2) and six equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   5.568
_cell_length_c   6.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.636
_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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Nd  Nd2  1  0.333  0.667  0.750  1.0
  Nd  Nd3  1  0.667  0.333  0.250  1.0
  Tl  Tl4  1  0.333  0.667  0.250  1.0
  Tl  Tl5  1  0.667  0.333  0.750  1.0
[/CIF]
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