The structure described by TlIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal P4/mmm space group. Tl(1) is bonded to four equivalent Tl(1) and eight equivalent In(1) atoms to form distorted TlTl4In8 cuboctahedra that share corners with four equivalent Tl(1)Tl4In8 cuboctahedra, corners with eight equivalent In(2)In12 cuboctahedra, edges with eight equivalent In(2)In12 cuboctahedra, edges with sixteen equivalent In(1)Tl4In8 cuboctahedra, faces with two equivalent In(2)In12 cuboctahedra, faces with eight equivalent Tl(1)Tl4In8 cuboctahedra, and faces with eight equivalent In(1)Tl4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Tl(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InTl4In8 cuboctahedra that share corners with twelve equivalent In(1)Tl4In8 cuboctahedra, edges with eight equivalent Tl(1)Tl4In8 cuboctahedra, edges with eight equivalent In(2)In12 cuboctahedra, edges with eight equivalent In(1)Tl4In8 cuboctahedra, faces with four equivalent Tl(1)Tl4In8 cuboctahedra, faces with four equivalent In(2)In12 cuboctahedra, and faces with ten equivalent In(1)Tl4In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form InIn12 cuboctahedra that share corners with four equivalent In(2)In12 cuboctahedra, corners with eight equivalent Tl(1)Tl4In8 cuboctahedra, edges with eight equivalent Tl(1)Tl4In8 cuboctahedra, edges with sixteen equivalent In(1)Tl4In8 cuboctahedra, faces with two equivalent Tl(1)Tl4In8 cuboctahedra, faces with eight equivalent In(2)In12 cuboctahedra, and faces with eight equivalent In(1)Tl4In8 cuboctahedra. is represented by the CIF file [CIF]
data_TlIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.216
_cell_length_b   3.216
_cell_length_c   10.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.493
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.734  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.500  0.500  0.266  1.0
[/CIF]
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The structure described by TlIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal P4/mmm space group. Tl(1) is bonded to four equivalent Tl(1) and eight equivalent In(1) atoms to form distorted TlTl4In8 cuboctahedra that share corners with four equivalent Tl(1)Tl4In8 cuboctahedra, corners with eight equivalent In(2)In12 cuboctahedra, edges with eight equivalent In(2)In12 cuboctahedra, edges with sixteen equivalent In(1)Tl4In8 cuboctahedra, faces with two equivalent In(2)In12 cuboctahedra, faces with eight equivalent Tl(1)Tl4In8 cuboctahedra, and faces with eight equivalent In(1)Tl4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Tl(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InTl4In8 cuboctahedra that share corners with twelve equivalent In(1)Tl4In8 cuboctahedra, edges with eight equivalent Tl(1)Tl4In8 cuboctahedra, edges with eight equivalent In(2)In12 cuboctahedra, edges with eight equivalent In(1)Tl4In8 cuboctahedra, faces with four equivalent Tl(1)Tl4In8 cuboctahedra, faces with four equivalent In(2)In12 cuboctahedra, and faces with ten equivalent In(1)Tl4In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form InIn12 cuboctahedra that share corners with four equivalent In(2)In12 cuboctahedra, corners with eight equivalent Tl(1)Tl4In8 cuboctahedra, edges with eight equivalent Tl(1)Tl4In8 cuboctahedra, edges with sixteen equivalent In(1)Tl4In8 cuboctahedra, faces with two equivalent Tl(1)Tl4In8 cuboctahedra, faces with eight equivalent In(2)In12 cuboctahedra, and faces with eight equivalent In(1)Tl4In8 cuboctahedra. is represented by the CIF file [CIF]
data_TlIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.216
_cell_length_b   3.216
_cell_length_c   10.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.493
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.734  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.500  0.500  0.266  1.0
[/CIF]
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