The material structure described by OsTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Os(1) is bonded to twelve equivalent Tl(1) atoms to form OsTl12 cuboctahedra that share corners with six equivalent Os(1)Tl12 cuboctahedra, corners with twelve equivalent Tl(1)Tl8Os4 cuboctahedra, edges with eighteen equivalent Tl(1)Tl8Os4 cuboctahedra, faces with eight equivalent Os(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Tl8Os4 cuboctahedra. Tl(1) is bonded to four equivalent Os(1) and eight equivalent Tl(1) atoms to form distorted TlTl8Os4 cuboctahedra that share corners with four equivalent Os(1)Tl12 cuboctahedra, corners with fourteen equivalent Tl(1)Tl8Os4 cuboctahedra, edges with six equivalent Os(1)Tl12 cuboctahedra, edges with twelve equivalent Tl(1)Tl8Os4 cuboctahedra, faces with four equivalent Os(1)Tl12 cuboctahedra, and faces with sixteen equivalent Tl(1)Tl8Os4 cuboctahedra. is represented by the CIF file [CIF]
data_Tl3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.264
_cell_length_b   6.264
_cell_length_c   5.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.021
_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  0.828  0.172  0.750  1.0
  Tl  Tl1  1  0.344  0.172  0.750  1.0
  Tl  Tl2  1  0.828  0.656  0.750  1.0
  Tl  Tl3  1  0.172  0.828  0.250  1.0
  Tl  Tl4  1  0.656  0.828  0.250  1.0
  Tl  Tl5  1  0.172  0.344  0.250  1.0
  Os  Os6  1  0.667  0.333  0.250  1.0
  Os  Os7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material structure described by OsTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Os(1) is bonded to twelve equivalent Tl(1) atoms to form OsTl12 cuboctahedra that share corners with six equivalent Os(1)Tl12 cuboctahedra, corners with twelve equivalent Tl(1)Tl8Os4 cuboctahedra, edges with eighteen equivalent Tl(1)Tl8Os4 cuboctahedra, faces with eight equivalent Os(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Tl8Os4 cuboctahedra. Tl(1) is bonded to four equivalent Os(1) and eight equivalent Tl(1) atoms to form distorted TlTl8Os4 cuboctahedra that share corners with four equivalent Os(1)Tl12 cuboctahedra, corners with fourteen equivalent Tl(1)Tl8Os4 cuboctahedra, edges with six equivalent Os(1)Tl12 cuboctahedra, edges with twelve equivalent Tl(1)Tl8Os4 cuboctahedra, faces with four equivalent Os(1)Tl12 cuboctahedra, and faces with sixteen equivalent Tl(1)Tl8Os4 cuboctahedra. is represented by the CIF file [CIF]
data_Tl3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.264
_cell_length_b   6.264
_cell_length_c   5.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.021
_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  0.828  0.172  0.750  1.0
  Tl  Tl1  1  0.344  0.172  0.750  1.0
  Tl  Tl2  1  0.828  0.656  0.750  1.0
  Tl  Tl3  1  0.172  0.828  0.250  1.0
  Tl  Tl4  1  0.656  0.828  0.250  1.0
  Tl  Tl5  1  0.172  0.344  0.250  1.0
  Os  Os6  1  0.667  0.333  0.250  1.0
  Os  Os7  1  0.333  0.667  0.750  1.0
[/CIF]
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