The material described by TaPb3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve equivalent Pb(1) atoms to form TaPb12 cuboctahedra that share corners with six equivalent Ta(1)Pb12 cuboctahedra, corners with twelve equivalent Pb(1)Ta4Pb8 cuboctahedra, edges with eighteen equivalent Pb(1)Ta4Pb8 cuboctahedra, faces with eight equivalent Ta(1)Pb12 cuboctahedra, and faces with twelve equivalent Pb(1)Ta4Pb8 cuboctahedra. Pb(1) is bonded to four equivalent Ta(1) and eight equivalent Pb(1) atoms to form distorted PbTa4Pb8 cuboctahedra that share corners with four equivalent Ta(1)Pb12 cuboctahedra, corners with fourteen equivalent Pb(1)Ta4Pb8 cuboctahedra, edges with six equivalent Ta(1)Pb12 cuboctahedra, edges with twelve equivalent Pb(1)Ta4Pb8 cuboctahedra, faces with four equivalent Ta(1)Pb12 cuboctahedra, and faces with sixteen equivalent Pb(1)Ta4Pb8 cuboctahedra. is represented by the CIF file [CIF]
data_TaPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.609
_cell_length_c   5.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   210.049
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Pb  Pb2  1  0.173  0.346  0.250  1.0
  Pb  Pb3  1  0.654  0.827  0.250  1.0
  Pb  Pb4  1  0.173  0.827  0.250  1.0
  Pb  Pb5  1  0.827  0.654  0.750  1.0
  Pb  Pb6  1  0.346  0.173  0.750  1.0
  Pb  Pb7  1  0.827  0.173  0.750  1.0
[/CIF]
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The material described by TaPb3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve equivalent Pb(1) atoms to form TaPb12 cuboctahedra that share corners with six equivalent Ta(1)Pb12 cuboctahedra, corners with twelve equivalent Pb(1)Ta4Pb8 cuboctahedra, edges with eighteen equivalent Pb(1)Ta4Pb8 cuboctahedra, faces with eight equivalent Ta(1)Pb12 cuboctahedra, and faces with twelve equivalent Pb(1)Ta4Pb8 cuboctahedra. Pb(1) is bonded to four equivalent Ta(1) and eight equivalent Pb(1) atoms to form distorted PbTa4Pb8 cuboctahedra that share corners with four equivalent Ta(1)Pb12 cuboctahedra, corners with fourteen equivalent Pb(1)Ta4Pb8 cuboctahedra, edges with six equivalent Ta(1)Pb12 cuboctahedra, edges with twelve equivalent Pb(1)Ta4Pb8 cuboctahedra, faces with four equivalent Ta(1)Pb12 cuboctahedra, and faces with sixteen equivalent Pb(1)Ta4Pb8 cuboctahedra. is represented by the CIF file [CIF]
data_TaPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.609
_cell_length_c   5.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   210.049
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Pb  Pb2  1  0.173  0.346  0.250  1.0
  Pb  Pb3  1  0.654  0.827  0.250  1.0
  Pb  Pb4  1  0.173  0.827  0.250  1.0
  Pb  Pb5  1  0.827  0.654  0.750  1.0
  Pb  Pb6  1  0.346  0.173  0.750  1.0
  Pb  Pb7  1  0.827  0.173  0.750  1.0
[/CIF]
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