The material described by PrBi3 crystallizes in the tetragonal I4/mmm space group. Pr(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form a mixture of corner, face, and edge-sharing PrBi12 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   6.578
_cell_length_c   6.578
_cell_angle_alpha   138.137
_cell_angle_beta   138.137
_cell_angle_gamma   60.693
_symmetry_Int_Tables_number   1
_cell_volume   125.385
_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
  Pr  Pr0  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 described by PrBi3 crystallizes in the tetragonal I4/mmm space group. Pr(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form a mixture of corner, face, and edge-sharing PrBi12 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   6.578
_cell_length_c   6.578
_cell_angle_alpha   138.137
_cell_angle_beta   138.137
_cell_angle_gamma   60.693
_symmetry_Int_Tables_number   1
_cell_volume   125.385
_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
  Pr  Pr0  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]
.