The crystal structure described by Th3Ac is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to eight equivalent Th(1) and four equivalent Ac(1) atoms to form ThAc4Th8 cuboctahedra that share corners with four equivalent Ac(1)Th12 cuboctahedra; corners with fourteen equivalent Th(1)Ac4Th8 cuboctahedra; edges with six equivalent Ac(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)Ac4Th8 cuboctahedra; faces with four equivalent Ac(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Ac4Th8 cuboctahedra. In the second Th site, Th(1) is bonded to eight equivalent Th(1) and four equivalent Ac(1) atoms to form ThAc4Th8 cuboctahedra that share corners with four equivalent Ac(1)Th12 cuboctahedra; corners with fourteen Th(1,1)Ac4Th8 cuboctahedra; edges with six equivalent Ac(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)Ac4Th8 cuboctahedra; faces with four equivalent Ac(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Ac4Th8 cuboctahedra. Ac(1) is bonded to twelve Th(1,1) atoms to form AcTh12 cuboctahedra that share corners with six equivalent Ac(1)Th12 cuboctahedra; corners with twelve Th(1,1)Ac4Th8 cuboctahedra; edges with eighteen Th(1,1)Ac4Th8 cuboctahedra; faces with eight equivalent Ac(1)Th12 cuboctahedra; and faces with twelve Th(1,1)Ac4Th8 cuboctahedra. is represented by the CIF card [CIF]
data_AcTh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   6.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.995
_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
  Ac  Ac0  1  0.333  0.667  0.750  1.0
  Ac  Ac1  1  0.667  0.333  0.250  1.0
  Th  Th2  1  0.161  0.322  0.250  1.0
  Th  Th3  1  0.678  0.839  0.250  1.0
  Th  Th4  1  0.161  0.839  0.250  1.0
  Th  Th5  1  0.839  0.678  0.750  1.0
  Th  Th6  1  0.322  0.161  0.750  1.0
  Th  Th7  1  0.839  0.161  0.750  1.0
[/CIF]
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The crystal structure described by Th3Ac is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to eight equivalent Th(1) and four equivalent Ac(1) atoms to form ThAc4Th8 cuboctahedra that share corners with four equivalent Ac(1)Th12 cuboctahedra; corners with fourteen equivalent Th(1)Ac4Th8 cuboctahedra; edges with six equivalent Ac(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)Ac4Th8 cuboctahedra; faces with four equivalent Ac(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Ac4Th8 cuboctahedra. In the second Th site, Th(1) is bonded to eight equivalent Th(1) and four equivalent Ac(1) atoms to form ThAc4Th8 cuboctahedra that share corners with four equivalent Ac(1)Th12 cuboctahedra; corners with fourteen Th(1,1)Ac4Th8 cuboctahedra; edges with six equivalent Ac(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)Ac4Th8 cuboctahedra; faces with four equivalent Ac(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Ac4Th8 cuboctahedra. Ac(1) is bonded to twelve Th(1,1) atoms to form AcTh12 cuboctahedra that share corners with six equivalent Ac(1)Th12 cuboctahedra; corners with twelve Th(1,1)Ac4Th8 cuboctahedra; edges with eighteen Th(1,1)Ac4Th8 cuboctahedra; faces with eight equivalent Ac(1)Th12 cuboctahedra; and faces with twelve Th(1,1)Ac4Th8 cuboctahedra. is represented by the CIF card [CIF]
data_AcTh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   6.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.995
_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
  Ac  Ac0  1  0.333  0.667  0.750  1.0
  Ac  Ac1  1  0.667  0.333  0.250  1.0
  Th  Th2  1  0.161  0.322  0.250  1.0
  Th  Th3  1  0.678  0.839  0.250  1.0
  Th  Th4  1  0.161  0.839  0.250  1.0
  Th  Th5  1  0.839  0.678  0.750  1.0
  Th  Th6  1  0.322  0.161  0.750  1.0
  Th  Th7  1  0.839  0.161  0.750  1.0
[/CIF]
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