The material structure described by PaBi3 crystallizes in the tetragonal I4/mmm space group. Pa(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form PaBi12 cuboctahedra that share corners with four equivalent Pa(1)Bi12 cuboctahedra, edges with eight equivalent Pa(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Pa4Bi8 cuboctahedra, faces with four equivalent Pa(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Pa4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Pa(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiPa4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Pa4Bi8 cuboctahedra, edges with eight equivalent Pa(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Pa4Bi8 cuboctahedra, faces with four equivalent Pa(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Pa4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Pa(1) and eight equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PaBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.391
_cell_length_b   6.391
_cell_length_c   6.391
_cell_angle_alpha   137.858
_cell_angle_beta   137.858
_cell_angle_gamma   61.121
_symmetry_Int_Tables_number   1
_cell_volume   116.202
_cell_formula_units_Z   1
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
  Pa  Pa0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by PaBi3 crystallizes in the tetragonal I4/mmm space group. Pa(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form PaBi12 cuboctahedra that share corners with four equivalent Pa(1)Bi12 cuboctahedra, edges with eight equivalent Pa(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Pa4Bi8 cuboctahedra, faces with four equivalent Pa(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Pa4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Pa(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiPa4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Pa4Bi8 cuboctahedra, edges with eight equivalent Pa(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Pa4Bi8 cuboctahedra, faces with four equivalent Pa(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Pa4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Pa(1) and eight equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PaBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.391
_cell_length_b   6.391
_cell_length_c   6.391
_cell_angle_alpha   137.858
_cell_angle_beta   137.858
_cell_angle_gamma   61.121
_symmetry_Int_Tables_number   1
_cell_volume   116.202
_cell_formula_units_Z   1
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
  Pa  Pa0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
[/CIF]
.