The material described by PtTl crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a hexagonal planar geometry to six equivalent Tl(1) atoms. In the second Pt site, Pt(2) is bonded to six equivalent Tl(1) atoms to form a mixture of distorted corner, edge, and face-sharing PtTl6 pentagonal pyramids. Tl(1) is bonded to two equivalent Pt(1) and four equivalent Pt(2) atoms to form a mixture of distorted corner, edge, and face-sharing TlPt6 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.758
_cell_length_b   6.758
_cell_length_c   3.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   152.342
_cell_formula_units_Z   3
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  0.500  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.000  1.0
  Tl  Tl2  1  0.000  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
  Pt  Pt4  1  0.333  0.667  0.500  1.0
  Pt  Pt5  1  0.667  0.333  0.500  1.0
[/CIF]
.
The material described by PtTl crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a hexagonal planar geometry to six equivalent Tl(1) atoms. In the second Pt site, Pt(2) is bonded to six equivalent Tl(1) atoms to form a mixture of distorted corner, edge, and face-sharing PtTl6 pentagonal pyramids. Tl(1) is bonded to two equivalent Pt(1) and four equivalent Pt(2) atoms to form a mixture of distorted corner, edge, and face-sharing TlPt6 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.758
_cell_length_b   6.758
_cell_length_c   3.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   152.342
_cell_formula_units_Z   3
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  0.500  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.000  1.0
  Tl  Tl2  1  0.000  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
  Pt  Pt4  1  0.333  0.667  0.500  1.0
  Pt  Pt5  1  0.667  0.333  0.500  1.0
[/CIF]
.