The material described by Pr5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to two equivalent Pr(2) and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Pr(2) and eight equivalent Pr(1) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Pr(1) and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.362
_cell_length_b   9.515
_cell_length_c   9.515
_cell_angle_alpha   83.599
_cell_angle_beta   70.468
_cell_angle_gamma   70.468
_symmetry_Int_Tables_number   1
_cell_volume   511.616
_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  0.586  0.697  0.131  1.0
  Pr  Pr1  1  0.414  0.303  0.869  1.0
  Pr  Pr2  1  0.283  0.131  0.303  1.0
  Pr  Pr3  1  0.914  0.869  0.303  1.0
  Pr  Pr4  1  0.783  0.303  0.131  1.0
  Pr  Pr5  1  0.750  0.500  0.500  1.0
  Pr  Pr6  1  0.250  0.500  0.500  1.0
  Pr  Pr7  1  0.086  0.131  0.697  1.0
  Pr  Pr8  1  0.717  0.869  0.697  1.0
  Pr  Pr9  1  0.217  0.697  0.869  1.0
  Tl  Tl10  1  0.340  0.820  0.500  1.0
  Tl  Tl11  1  0.160  0.500  0.180  1.0
  Tl  Tl12  1  0.250  0.000  0.000  1.0
  Tl  Tl13  1  0.840  0.500  0.820  1.0
  Tl  Tl14  1  0.660  0.180  0.500  1.0
  Tl  Tl15  1  0.750  0.000  0.000  1.0
[/CIF]
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The material described by Pr5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to two equivalent Pr(2) and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Pr(2) and eight equivalent Pr(1) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Pr(1) and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.362
_cell_length_b   9.515
_cell_length_c   9.515
_cell_angle_alpha   83.599
_cell_angle_beta   70.468
_cell_angle_gamma   70.468
_symmetry_Int_Tables_number   1
_cell_volume   511.616
_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  0.586  0.697  0.131  1.0
  Pr  Pr1  1  0.414  0.303  0.869  1.0
  Pr  Pr2  1  0.283  0.131  0.303  1.0
  Pr  Pr3  1  0.914  0.869  0.303  1.0
  Pr  Pr4  1  0.783  0.303  0.131  1.0
  Pr  Pr5  1  0.750  0.500  0.500  1.0
  Pr  Pr6  1  0.250  0.500  0.500  1.0
  Pr  Pr7  1  0.086  0.131  0.697  1.0
  Pr  Pr8  1  0.717  0.869  0.697  1.0
  Pr  Pr9  1  0.217  0.697  0.869  1.0
  Tl  Tl10  1  0.340  0.820  0.500  1.0
  Tl  Tl11  1  0.160  0.500  0.180  1.0
  Tl  Tl12  1  0.250  0.000  0.000  1.0
  Tl  Tl13  1  0.840  0.500  0.820  1.0
  Tl  Tl14  1  0.660  0.180  0.500  1.0
  Tl  Tl15  1  0.750  0.000  0.000  1.0
[/CIF]
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