The crystal structure described by Th3V 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 V(1) atoms to form distorted ThTh8V4 cuboctahedra that share corners with four equivalent V(1)Th12 cuboctahedra, corners with fourteen equivalent Th(1)Th8V4 cuboctahedra, edges with six equivalent V(1)Th12 cuboctahedra, edges with twelve equivalent Th(1)Th8V4 cuboctahedra, faces with four equivalent V(1)Th12 cuboctahedra, and faces with sixteen equivalent Th(1)Th8V4 cuboctahedra. V(1) is bonded to twelve equivalent Th(1) atoms to form VTh12 cuboctahedra that share corners with six equivalent V(1)Th12 cuboctahedra, corners with twelve equivalent Th(1)Th8V4 cuboctahedra, edges with eighteen equivalent Th(1)Th8V4 cuboctahedra, faces with eight equivalent V(1)Th12 cuboctahedra, and faces with twelve equivalent Th(1)Th8V4 cuboctahedra. is represented by the CIF card [CIF]
data_Th3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.885
_cell_length_b   6.885
_cell_length_c   5.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   225.263
_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  0.177  0.354  0.250  1.0
  Th  Th1  1  0.646  0.823  0.250  1.0
  Th  Th2  1  0.177  0.823  0.250  1.0
  Th  Th3  1  0.823  0.646  0.750  1.0
  Th  Th4  1  0.354  0.177  0.750  1.0
  Th  Th5  1  0.823  0.177  0.750  1.0
  V  V6  1  0.333  0.667  0.750  1.0
  V  V7  1  0.667  0.333  0.250  1.0
[/CIF]
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The crystal structure described by Th3V 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 V(1) atoms to form distorted ThTh8V4 cuboctahedra that share corners with four equivalent V(1)Th12 cuboctahedra, corners with fourteen equivalent Th(1)Th8V4 cuboctahedra, edges with six equivalent V(1)Th12 cuboctahedra, edges with twelve equivalent Th(1)Th8V4 cuboctahedra, faces with four equivalent V(1)Th12 cuboctahedra, and faces with sixteen equivalent Th(1)Th8V4 cuboctahedra. V(1) is bonded to twelve equivalent Th(1) atoms to form VTh12 cuboctahedra that share corners with six equivalent V(1)Th12 cuboctahedra, corners with twelve equivalent Th(1)Th8V4 cuboctahedra, edges with eighteen equivalent Th(1)Th8V4 cuboctahedra, faces with eight equivalent V(1)Th12 cuboctahedra, and faces with twelve equivalent Th(1)Th8V4 cuboctahedra. is represented by the CIF card [CIF]
data_Th3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.885
_cell_length_b   6.885
_cell_length_c   5.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   225.263
_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  0.177  0.354  0.250  1.0
  Th  Th1  1  0.646  0.823  0.250  1.0
  Th  Th2  1  0.177  0.823  0.250  1.0
  Th  Th3  1  0.823  0.646  0.750  1.0
  Th  Th4  1  0.354  0.177  0.750  1.0
  Th  Th5  1  0.823  0.177  0.750  1.0
  V  V6  1  0.333  0.667  0.750  1.0
  V  V7  1  0.667  0.333  0.250  1.0
[/CIF]
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