The material described by Pr2Tl crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six equivalent Pr(2) and five equivalent Tl(1) atoms to form a mixture of distorted corner and face-sharing PrPr6Tl5 trigonal bipyramids. In the second Pr site, Pr(2) is bonded in a 14-coordinate geometry to two equivalent Pr(2), six equivalent Pr(1), and six equivalent Tl(1) atoms. Tl(1) is bonded in a 11-coordinate geometry to five equivalent Pr(1) and six equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.617
_cell_length_b   5.617
_cell_length_c   6.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   190.499
_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
  Pr  Pr0  1  0.667  0.333  0.250  1.0
  Pr  Pr1  1  0.333  0.667  0.750  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Pr  Pr3  1  0.000  0.000  0.500  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 Pr2Tl crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six equivalent Pr(2) and five equivalent Tl(1) atoms to form a mixture of distorted corner and face-sharing PrPr6Tl5 trigonal bipyramids. In the second Pr site, Pr(2) is bonded in a 14-coordinate geometry to two equivalent Pr(2), six equivalent Pr(1), and six equivalent Tl(1) atoms. Tl(1) is bonded in a 11-coordinate geometry to five equivalent Pr(1) and six equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.617
_cell_length_b   5.617
_cell_length_c   6.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   190.499
_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
  Pr  Pr0  1  0.667  0.333  0.250  1.0
  Pr  Pr1  1  0.333  0.667  0.750  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Pr  Pr3  1  0.000  0.000  0.500  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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