The compound described by PaAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to twelve equivalent Ac(1) atoms to form PaAc12 cuboctahedra that share corners with six equivalent Pa(1)Ac12 cuboctahedra, corners with twelve equivalent Ac(1)Ac8Pa4 cuboctahedra, edges with eighteen equivalent Ac(1)Ac8Pa4 cuboctahedra, faces with eight equivalent Pa(1)Ac12 cuboctahedra, and faces with twelve equivalent Ac(1)Ac8Pa4 cuboctahedra. Ac(1) is bonded to four equivalent Pa(1) and eight equivalent Ac(1) atoms to form distorted AcAc8Pa4 cuboctahedra that share corners with four equivalent Pa(1)Ac12 cuboctahedra, corners with fourteen equivalent Ac(1)Ac8Pa4 cuboctahedra, edges with six equivalent Pa(1)Ac12 cuboctahedra, edges with twelve equivalent Ac(1)Ac8Pa4 cuboctahedra, faces with four equivalent Pa(1)Ac12 cuboctahedra, and faces with sixteen equivalent Ac(1)Ac8Pa4 cuboctahedra. is represented by the CIF card [CIF]
data_Ac3Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.646
_cell_length_b   7.646
_cell_length_c   6.200
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   313.941
_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  0.172  0.344  0.250  1.0
  Ac  Ac1  1  0.656  0.828  0.250  1.0
  Ac  Ac2  1  0.172  0.828  0.250  1.0
  Ac  Ac3  1  0.828  0.656  0.750  1.0
  Ac  Ac4  1  0.344  0.172  0.750  1.0
  Ac  Ac5  1  0.828  0.172  0.750  1.0
  Pa  Pa6  1  0.333  0.667  0.750  1.0
  Pa  Pa7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by PaAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to twelve equivalent Ac(1) atoms to form PaAc12 cuboctahedra that share corners with six equivalent Pa(1)Ac12 cuboctahedra, corners with twelve equivalent Ac(1)Ac8Pa4 cuboctahedra, edges with eighteen equivalent Ac(1)Ac8Pa4 cuboctahedra, faces with eight equivalent Pa(1)Ac12 cuboctahedra, and faces with twelve equivalent Ac(1)Ac8Pa4 cuboctahedra. Ac(1) is bonded to four equivalent Pa(1) and eight equivalent Ac(1) atoms to form distorted AcAc8Pa4 cuboctahedra that share corners with four equivalent Pa(1)Ac12 cuboctahedra, corners with fourteen equivalent Ac(1)Ac8Pa4 cuboctahedra, edges with six equivalent Pa(1)Ac12 cuboctahedra, edges with twelve equivalent Ac(1)Ac8Pa4 cuboctahedra, faces with four equivalent Pa(1)Ac12 cuboctahedra, and faces with sixteen equivalent Ac(1)Ac8Pa4 cuboctahedra. is represented by the CIF card [CIF]
data_Ac3Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.646
_cell_length_b   7.646
_cell_length_c   6.200
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   313.941
_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  0.172  0.344  0.250  1.0
  Ac  Ac1  1  0.656  0.828  0.250  1.0
  Ac  Ac2  1  0.172  0.828  0.250  1.0
  Ac  Ac3  1  0.828  0.656  0.750  1.0
  Ac  Ac4  1  0.344  0.172  0.750  1.0
  Ac  Ac5  1  0.828  0.172  0.750  1.0
  Pa  Pa6  1  0.333  0.667  0.750  1.0
  Pa  Pa7  1  0.667  0.333  0.250  1.0
[/CIF]
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