The structure described by Th3Ta is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to eight equivalent Th(1) and four equivalent Ta(1) atoms to form distorted ThTh8Ta4 cuboctahedra that share corners with four equivalent Ta(1)Th12 cuboctahedra, corners with fourteen equivalent Th(1)Th8Ta4 cuboctahedra, edges with six equivalent Ta(1)Th12 cuboctahedra, edges with twelve equivalent Th(1)Th8Ta4 cuboctahedra, faces with four equivalent Ta(1)Th12 cuboctahedra, and faces with sixteen equivalent Th(1)Th8Ta4 cuboctahedra. Ta(1) is bonded to twelve equivalent Th(1) atoms to form TaTh12 cuboctahedra that share corners with six equivalent Ta(1)Th12 cuboctahedra, corners with twelve equivalent Th(1)Th8Ta4 cuboctahedra, edges with eighteen equivalent Th(1)Th8Ta4 cuboctahedra, faces with eight equivalent Ta(1)Th12 cuboctahedra, and faces with twelve equivalent Th(1)Th8Ta4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.756
_cell_length_b   6.756
_cell_length_c   5.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   228.184
_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
  Th  Th0  1  0.176  0.353  0.250  1.0
  Th  Th1  1  0.647  0.824  0.250  1.0
  Th  Th2  1  0.176  0.824  0.250  1.0
  Th  Th3  1  0.824  0.647  0.750  1.0
  Th  Th4  1  0.353  0.176  0.750  1.0
  Th  Th5  1  0.824  0.176  0.750  1.0
  Ta  Ta6  1  0.333  0.667  0.750  1.0
  Ta  Ta7  1  0.667  0.333  0.250  1.0
[/CIF]
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The structure described by Th3Ta is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to eight equivalent Th(1) and four equivalent Ta(1) atoms to form distorted ThTh8Ta4 cuboctahedra that share corners with four equivalent Ta(1)Th12 cuboctahedra, corners with fourteen equivalent Th(1)Th8Ta4 cuboctahedra, edges with six equivalent Ta(1)Th12 cuboctahedra, edges with twelve equivalent Th(1)Th8Ta4 cuboctahedra, faces with four equivalent Ta(1)Th12 cuboctahedra, and faces with sixteen equivalent Th(1)Th8Ta4 cuboctahedra. Ta(1) is bonded to twelve equivalent Th(1) atoms to form TaTh12 cuboctahedra that share corners with six equivalent Ta(1)Th12 cuboctahedra, corners with twelve equivalent Th(1)Th8Ta4 cuboctahedra, edges with eighteen equivalent Th(1)Th8Ta4 cuboctahedra, faces with eight equivalent Ta(1)Th12 cuboctahedra, and faces with twelve equivalent Th(1)Th8Ta4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.756
_cell_length_b   6.756
_cell_length_c   5.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   228.184
_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
  Th  Th0  1  0.176  0.353  0.250  1.0
  Th  Th1  1  0.647  0.824  0.250  1.0
  Th  Th2  1  0.176  0.824  0.250  1.0
  Th  Th3  1  0.824  0.647  0.750  1.0
  Th  Th4  1  0.353  0.176  0.750  1.0
  Th  Th5  1  0.824  0.176  0.750  1.0
  Ta  Ta6  1  0.333  0.667  0.750  1.0
  Ta  Ta7  1  0.667  0.333  0.250  1.0
[/CIF]
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