The material described by Gd2Tl crystallizes in the trigonal P-3m1 space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to three equivalent Gd(2), three equivalent Gd(3), and five equivalent Tl(1) atoms to form a mixture of distorted face and corner-sharing GdGd6Tl5 trigonal bipyramids. In the second Gd site, Gd(2) is bonded in a 14-coordinate geometry to two equivalent Gd(3), six equivalent Gd(1), and six equivalent Tl(1) atoms. In the third Gd site, Gd(3) is bonded in a 14-coordinate geometry to two equivalent Gd(2), six equivalent Gd(1), and six equivalent Tl(1) atoms. Tl(1) is bonded in a 11-coordinate geometry to three equivalent Gd(2), three equivalent Gd(3), and five equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   5.456
_cell_length_c   6.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.572
_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
  Gd  Gd0  1  0.333  0.667  0.752  1.0
  Gd  Gd1  1  0.000  0.000  0.000  1.0
  Gd  Gd2  1  0.000  0.000  0.500  1.0
  Gd  Gd3  1  0.667  0.333  0.248  1.0
  Tl  Tl4  1  0.667  0.333  0.750  1.0
  Tl  Tl5  1  0.333  0.667  0.250  1.0
[/CIF]
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The material described by Gd2Tl crystallizes in the trigonal P-3m1 space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to three equivalent Gd(2), three equivalent Gd(3), and five equivalent Tl(1) atoms to form a mixture of distorted face and corner-sharing GdGd6Tl5 trigonal bipyramids. In the second Gd site, Gd(2) is bonded in a 14-coordinate geometry to two equivalent Gd(3), six equivalent Gd(1), and six equivalent Tl(1) atoms. In the third Gd site, Gd(3) is bonded in a 14-coordinate geometry to two equivalent Gd(2), six equivalent Gd(1), and six equivalent Tl(1) atoms. Tl(1) is bonded in a 11-coordinate geometry to three equivalent Gd(2), three equivalent Gd(3), and five equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   5.456
_cell_length_c   6.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.572
_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
  Gd  Gd0  1  0.333  0.667  0.752  1.0
  Gd  Gd1  1  0.000  0.000  0.000  1.0
  Gd  Gd2  1  0.000  0.000  0.500  1.0
  Gd  Gd3  1  0.667  0.333  0.248  1.0
  Tl  Tl4  1  0.667  0.333  0.750  1.0
  Tl  Tl5  1  0.333  0.667  0.250  1.0
[/CIF]
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