The structure described by Pr3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(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 Pr site, Pr(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 5-coordinate geometry to one Pr(1), four equivalent Pr(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 Pr(1), four equivalent Pr(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 Pr(1), four equivalent Pr(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Pr3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.673
_cell_length_b   6.673
_cell_length_c   10.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.842
_symmetry_Int_Tables_number   1
_cell_volume   464.508
_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  0.629  0.629  0.250  1.0
  Pr  Pr1  1  0.371  0.371  0.750  1.0
  Pr  Pr2  1  0.797  0.203  0.500  1.0
  Pr  Pr3  1  0.797  0.203  0.000  1.0
  Pr  Pr4  1  0.203  0.797  0.500  1.0
  Pr  Pr5  1  0.203  0.797  0.000  1.0
  Tl  Tl6  1  0.010  0.010  0.250  1.0
  Tl  Tl7  1  0.990  0.990  0.750  1.0
  Tl  Tl8  1  0.307  0.307  0.045  1.0
  Tl  Tl9  1  0.693  0.693  0.955  1.0
  Tl  Tl10  1  0.307  0.307  0.455  1.0
  Tl  Tl11  1  0.693  0.693  0.545  1.0
  Tl  Tl12  1  0.075  0.507  0.250  1.0
  Tl  Tl13  1  0.493  0.925  0.750  1.0
  Tl  Tl14  1  0.925  0.493  0.750  1.0
  Tl  Tl15  1  0.507  0.075  0.250  1.0
[/CIF]
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The structure described by Pr3Tl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(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 Pr site, Pr(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 5-coordinate geometry to one Pr(1), four equivalent Pr(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 Pr(1), four equivalent Pr(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 Pr(1), four equivalent Pr(2), two equivalent Tl(1), and two equivalent Tl(2) atoms. is represented by the CIF file [CIF]
data_Pr3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.673
_cell_length_b   6.673
_cell_length_c   10.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.842
_symmetry_Int_Tables_number   1
_cell_volume   464.508
_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  0.629  0.629  0.250  1.0
  Pr  Pr1  1  0.371  0.371  0.750  1.0
  Pr  Pr2  1  0.797  0.203  0.500  1.0
  Pr  Pr3  1  0.797  0.203  0.000  1.0
  Pr  Pr4  1  0.203  0.797  0.500  1.0
  Pr  Pr5  1  0.203  0.797  0.000  1.0
  Tl  Tl6  1  0.010  0.010  0.250  1.0
  Tl  Tl7  1  0.990  0.990  0.750  1.0
  Tl  Tl8  1  0.307  0.307  0.045  1.0
  Tl  Tl9  1  0.693  0.693  0.955  1.0
  Tl  Tl10  1  0.307  0.307  0.455  1.0
  Tl  Tl11  1  0.693  0.693  0.545  1.0
  Tl  Tl12  1  0.075  0.507  0.250  1.0
  Tl  Tl13  1  0.493  0.925  0.750  1.0
  Tl  Tl14  1  0.925  0.493  0.750  1.0
  Tl  Tl15  1  0.507  0.075  0.250  1.0
[/CIF]
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