The crystal structure described by Pr2(TlIn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. Pr(1) is bonded to two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), two equivalent In(2), and four equivalent In(1) atoms to form PrTl6In6 cuboctahedra that share corners with twelve equivalent Pr(1)Tl6In6 cuboctahedra, edges with four equivalent Tl(2)Pr4In8 cuboctahedra, edges with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with four equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(2)Pr4In8 cuboctahedra, faces with two equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with two equivalent Tl(3)Pr4Tl4In4 cuboctahedra, faces with two equivalent In(2)Pr4Tl4In4 cuboctahedra, faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra, and faces with six equivalent Pr(1)Tl6In6 cuboctahedra. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Pr(1), four equivalent Tl(3), and four equivalent In(1) atoms to form distorted TlPr4Tl4In4 cuboctahedra that share corners with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, corners with eight equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent Tl(2)Pr4In8 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent In(2)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent Pr(1), four equivalent In(1), and four equivalent In(2) atoms to form TlPr4In8 cuboctahedra that share corners with four equivalent Tl(2)Pr4In8 cuboctahedra, corners with eight equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(3)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(2)Pr4In8 cuboctahedra, faces with four equivalent In(2)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. In the third Tl site, Tl(3) is bonded to four equivalent Pr(1), four equivalent Tl(1), and four equivalent In(1) atoms to form distorted TlPr4Tl4In4 cuboctahedra that share corners with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, corners with eight equivalent Tl(2)Pr4In8 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(2)Pr4In8 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Pr(1), two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), and two equivalent In(2) atoms to form distorted InPr4Tl6In2 cuboctahedra that share corners with twelve equivalent In(1)Pr4Tl6In2 cuboctahedra, edges with four equivalent Tl(2)Pr4In8 cuboctahedra, edges with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with four equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, faces with two equivalent Tl(2)Pr4In8 cuboctahedra, faces with two equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with two equivalent Tl(3)Pr4Tl4In4 cuboctahedra, faces with two equivalent In(2)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, and faces with six equivalent In(1)Pr4Tl6In2 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Pr(1), four equivalent Tl(2), and four equivalent In(1) atoms to form distorted InPr4Tl4In4 cuboctahedra that share corners with four equivalent In(2)Pr4Tl4In4 cuboctahedra, corners with eight equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(2)Pr4In8 cuboctahedra, faces with four equivalent In(2)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. is represented by the CIF file [CIF]
data_Pr2(TlIn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   4.821
_cell_length_c   9.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.330
_cell_formula_units_Z   1
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  0.000  0.000  0.251  1.0
  Pr  Pr1  1  0.000  0.000  0.749  1.0
  Tl  Tl2  1  0.000  0.500  0.000  1.0
  Tl  Tl3  1  0.500  0.000  0.500  1.0
  Tl  Tl4  1  0.500  0.000  0.000  1.0
  In  In5  1  0.500  0.500  0.254  1.0
  In  In6  1  0.500  0.500  0.746  1.0
  In  In7  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Pr2(TlIn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. Pr(1) is bonded to two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), two equivalent In(2), and four equivalent In(1) atoms to form PrTl6In6 cuboctahedra that share corners with twelve equivalent Pr(1)Tl6In6 cuboctahedra, edges with four equivalent Tl(2)Pr4In8 cuboctahedra, edges with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with four equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(2)Pr4In8 cuboctahedra, faces with two equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with two equivalent Tl(3)Pr4Tl4In4 cuboctahedra, faces with two equivalent In(2)Pr4Tl4In4 cuboctahedra, faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra, and faces with six equivalent Pr(1)Tl6In6 cuboctahedra. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Pr(1), four equivalent Tl(3), and four equivalent In(1) atoms to form distorted TlPr4Tl4In4 cuboctahedra that share corners with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, corners with eight equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent Tl(2)Pr4In8 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent In(2)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent Pr(1), four equivalent In(1), and four equivalent In(2) atoms to form TlPr4In8 cuboctahedra that share corners with four equivalent Tl(2)Pr4In8 cuboctahedra, corners with eight equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(3)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(2)Pr4In8 cuboctahedra, faces with four equivalent In(2)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. In the third Tl site, Tl(3) is bonded to four equivalent Pr(1), four equivalent Tl(1), and four equivalent In(1) atoms to form distorted TlPr4Tl4In4 cuboctahedra that share corners with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, corners with eight equivalent Tl(2)Pr4In8 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(2)Pr4In8 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Pr(1), two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), and two equivalent In(2) atoms to form distorted InPr4Tl6In2 cuboctahedra that share corners with twelve equivalent In(1)Pr4Tl6In2 cuboctahedra, edges with four equivalent Tl(2)Pr4In8 cuboctahedra, edges with four equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with four equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with four equivalent In(2)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, faces with two equivalent Tl(2)Pr4In8 cuboctahedra, faces with two equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with two equivalent Tl(3)Pr4Tl4In4 cuboctahedra, faces with two equivalent In(2)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, and faces with six equivalent In(1)Pr4Tl6In2 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Pr(1), four equivalent Tl(2), and four equivalent In(1) atoms to form distorted InPr4Tl4In4 cuboctahedra that share corners with four equivalent In(2)Pr4Tl4In4 cuboctahedra, corners with eight equivalent Tl(1)Pr4Tl4In4 cuboctahedra, edges with eight equivalent Pr(1)Tl6In6 cuboctahedra, edges with eight equivalent Tl(3)Pr4Tl4In4 cuboctahedra, edges with eight equivalent In(1)Pr4Tl6In2 cuboctahedra, faces with two equivalent Tl(1)Pr4Tl4In4 cuboctahedra, faces with four equivalent Pr(1)Tl6In6 cuboctahedra, faces with four equivalent Tl(2)Pr4In8 cuboctahedra, faces with four equivalent In(2)Pr4Tl4In4 cuboctahedra, and faces with four equivalent In(1)Pr4Tl6In2 cuboctahedra. is represented by the CIF file [CIF]
data_Pr2(TlIn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   4.821
_cell_length_c   9.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.330
_cell_formula_units_Z   1
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  0.000  0.000  0.251  1.0
  Pr  Pr1  1  0.000  0.000  0.749  1.0
  Tl  Tl2  1  0.000  0.500  0.000  1.0
  Tl  Tl3  1  0.500  0.000  0.500  1.0
  Tl  Tl4  1  0.500  0.000  0.000  1.0
  In  In5  1  0.500  0.500  0.254  1.0
  In  In6  1  0.500  0.500  0.746  1.0
  In  In7  1  0.000  0.500  0.500  1.0
[/CIF]
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