The compound described by Y3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded to eight equivalent Y(1) and four equivalent Tl(1) atoms to form distorted YY8Tl4 cuboctahedra that share corners with four equivalent Tl(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Tl4 cuboctahedra, edges with six equivalent Tl(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Tl4 cuboctahedra, faces with four equivalent Tl(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Tl4 cuboctahedra. Tl(1) is bonded to twelve equivalent Y(1) atoms to form TlY12 cuboctahedra that share corners with six equivalent Tl(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Tl4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Tl4 cuboctahedra, faces with eight equivalent Tl(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Tl4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   5.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.384
_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
  Y  Y0  1  0.171  0.342  0.250  1.0
  Y  Y1  1  0.658  0.829  0.250  1.0
  Y  Y2  1  0.171  0.829  0.250  1.0
  Y  Y3  1  0.829  0.658  0.750  1.0
  Y  Y4  1  0.342  0.171  0.750  1.0
  Y  Y5  1  0.829  0.171  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Y3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded to eight equivalent Y(1) and four equivalent Tl(1) atoms to form distorted YY8Tl4 cuboctahedra that share corners with four equivalent Tl(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Tl4 cuboctahedra, edges with six equivalent Tl(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Tl4 cuboctahedra, faces with four equivalent Tl(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Tl4 cuboctahedra. Tl(1) is bonded to twelve equivalent Y(1) atoms to form TlY12 cuboctahedra that share corners with six equivalent Tl(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Tl4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Tl4 cuboctahedra, faces with eight equivalent Tl(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Tl4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   5.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.384
_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
  Y  Y0  1  0.171  0.342  0.250  1.0
  Y  Y1  1  0.658  0.829  0.250  1.0
  Y  Y2  1  0.171  0.829  0.250  1.0
  Y  Y3  1  0.829  0.658  0.750  1.0
  Y  Y4  1  0.342  0.171  0.750  1.0
  Y  Y5  1  0.829  0.171  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
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