The crystal structure described by Lu3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Tl(1) atoms to form distorted LuLu8Tl4 cuboctahedra that share corners with four equivalent Tl(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with six equivalent Tl(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with four equivalent Tl(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Lu8Tl4 cuboctahedra. Tl(1) is bonded to twelve equivalent Lu(1) atoms to form TlLu12 cuboctahedra that share corners with six equivalent Tl(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with eighteen equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with eight equivalent Tl(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra. is represented by the CIF card [CIF]
data_Lu3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   6.668
_cell_length_c   5.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   212.261
_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
  Lu  Lu0  1  0.168  0.337  0.250  1.0
  Lu  Lu1  1  0.663  0.832  0.250  1.0
  Lu  Lu2  1  0.168  0.832  0.250  1.0
  Lu  Lu3  1  0.832  0.663  0.750  1.0
  Lu  Lu4  1  0.337  0.168  0.750  1.0
  Lu  Lu5  1  0.832  0.168  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 crystal structure described by Lu3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Tl(1) atoms to form distorted LuLu8Tl4 cuboctahedra that share corners with four equivalent Tl(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with six equivalent Tl(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with four equivalent Tl(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Lu8Tl4 cuboctahedra. Tl(1) is bonded to twelve equivalent Lu(1) atoms to form TlLu12 cuboctahedra that share corners with six equivalent Tl(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with eighteen equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with eight equivalent Tl(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra. is represented by the CIF card [CIF]
data_Lu3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   6.668
_cell_length_c   5.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   212.261
_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
  Lu  Lu0  1  0.168  0.337  0.250  1.0
  Lu  Lu1  1  0.663  0.832  0.250  1.0
  Lu  Lu2  1  0.168  0.832  0.250  1.0
  Lu  Lu3  1  0.832  0.663  0.750  1.0
  Lu  Lu4  1  0.337  0.168  0.750  1.0
  Lu  Lu5  1  0.832  0.168  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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