The material described by Ac3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ac(1) is bonded in a 12-coordinate geometry to eight equivalent Ac(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to twelve equivalent Ac(1) atoms to form a mixture of face and corner-sharing TlAc12 cuboctahedra. is represented by the CIF card [CIF]
data_Ac3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.765
_cell_length_b   7.765
_cell_length_c   5.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   309.225
_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  0.177  0.354  0.250  1.0
  Ac  Ac1  1  0.646  0.823  0.250  1.0
  Ac  Ac2  1  0.177  0.823  0.250  1.0
  Ac  Ac3  1  0.823  0.646  0.750  1.0
  Ac  Ac4  1  0.354  0.177  0.750  1.0
  Ac  Ac5  1  0.823  0.177  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by Ac3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ac(1) is bonded in a 12-coordinate geometry to eight equivalent Ac(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to twelve equivalent Ac(1) atoms to form a mixture of face and corner-sharing TlAc12 cuboctahedra. is represented by the CIF card [CIF]
data_Ac3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.765
_cell_length_b   7.765
_cell_length_c   5.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   309.225
_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  0.177  0.354  0.250  1.0
  Ac  Ac1  1  0.646  0.823  0.250  1.0
  Ac  Ac2  1  0.177  0.823  0.250  1.0
  Ac  Ac3  1  0.823  0.646  0.750  1.0
  Ac  Ac4  1  0.354  0.177  0.750  1.0
  Ac  Ac5  1  0.823  0.177  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
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