The crystal structure described by Rh3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen equivalent Rh(1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. In the second Rh site, Rh(1) is bonded to eight equivalent Rh(1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. Tl(1) is bonded to twelve Rh(1,1) atoms to form TlRh12 cuboctahedra that share corners with six equivalent Tl(1)Rh12 cuboctahedra; corners with twelve Rh(1,1)Tl4Rh8 cuboctahedra; edges with eighteen Rh(1,1)Tl4Rh8 cuboctahedra; faces with eight equivalent Tl(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1)Tl4Rh8 cuboctahedra. is represented by the CIF card [CIF]
data_TlRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.712
_cell_length_b   5.712
_cell_length_c   4.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.164
_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
  Tl  Tl0  1  0.333  0.667  0.750  1.0
  Tl  Tl1  1  0.667  0.333  0.250  1.0
  Rh  Rh2  1  0.160  0.321  0.250  1.0
  Rh  Rh3  1  0.679  0.840  0.250  1.0
  Rh  Rh4  1  0.160  0.840  0.250  1.0
  Rh  Rh5  1  0.840  0.679  0.750  1.0
  Rh  Rh6  1  0.321  0.160  0.750  1.0
  Rh  Rh7  1  0.840  0.160  0.750  1.0
[/CIF]
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The crystal structure described by Rh3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen equivalent Rh(1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. In the second Rh site, Rh(1) is bonded to eight equivalent Rh(1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. Tl(1) is bonded to twelve Rh(1,1) atoms to form TlRh12 cuboctahedra that share corners with six equivalent Tl(1)Rh12 cuboctahedra; corners with twelve Rh(1,1)Tl4Rh8 cuboctahedra; edges with eighteen Rh(1,1)Tl4Rh8 cuboctahedra; faces with eight equivalent Tl(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1)Tl4Rh8 cuboctahedra. is represented by the CIF card [CIF]
data_TlRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.712
_cell_length_b   5.712
_cell_length_c   4.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.164
_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
  Tl  Tl0  1  0.333  0.667  0.750  1.0
  Tl  Tl1  1  0.667  0.333  0.250  1.0
  Rh  Rh2  1  0.160  0.321  0.250  1.0
  Rh  Rh3  1  0.679  0.840  0.250  1.0
  Rh  Rh4  1  0.160  0.840  0.250  1.0
  Rh  Rh5  1  0.840  0.679  0.750  1.0
  Rh  Rh6  1  0.321  0.160  0.750  1.0
  Rh  Rh7  1  0.840  0.160  0.750  1.0
[/CIF]
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