The crystal structure described by PaRe3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Pa(1) is bonded to four equivalent Re(2) and eight equivalent Re(1) atoms to form PaRe12 cuboctahedra that share corners with four equivalent Pa(1)Re12 cuboctahedra, corners with eight equivalent Re(2)Pa4Re8 cuboctahedra, edges with eight equivalent Pa(1)Re12 cuboctahedra, faces with four equivalent Pa(1)Re12 cuboctahedra, and faces with six equivalent Re(2)Pa4Re8 cuboctahedra. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to four equivalent Pa(1) and four equivalent Re(2) atoms. In the second Re site, Re(2) is bonded to four equivalent Pa(1) and eight equivalent Re(1) atoms to form RePa4Re8 cuboctahedra that share corners with four equivalent Re(2)Pa4Re8 cuboctahedra, corners with eight equivalent Pa(1)Re12 cuboctahedra, edges with eight equivalent Re(2)Pa4Re8 cuboctahedra, faces with four equivalent Re(2)Pa4Re8 cuboctahedra, and faces with six equivalent Pa(1)Re12 cuboctahedra. is represented by the CIF card [CIF]
data_PaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.846
_cell_length_b   4.846
_cell_length_c   4.846
_cell_angle_alpha   127.345
_cell_angle_beta   127.345
_cell_angle_gamma   77.688
_symmetry_Int_Tables_number   1
_cell_volume   69.748
_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
  Re  Re1  1  0.750  0.250  0.500  1.0
  Re  Re2  1  0.250  0.750  0.500  1.0
  Re  Re3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The crystal structure described by PaRe3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Pa(1) is bonded to four equivalent Re(2) and eight equivalent Re(1) atoms to form PaRe12 cuboctahedra that share corners with four equivalent Pa(1)Re12 cuboctahedra, corners with eight equivalent Re(2)Pa4Re8 cuboctahedra, edges with eight equivalent Pa(1)Re12 cuboctahedra, faces with four equivalent Pa(1)Re12 cuboctahedra, and faces with six equivalent Re(2)Pa4Re8 cuboctahedra. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to four equivalent Pa(1) and four equivalent Re(2) atoms. In the second Re site, Re(2) is bonded to four equivalent Pa(1) and eight equivalent Re(1) atoms to form RePa4Re8 cuboctahedra that share corners with four equivalent Re(2)Pa4Re8 cuboctahedra, corners with eight equivalent Pa(1)Re12 cuboctahedra, edges with eight equivalent Re(2)Pa4Re8 cuboctahedra, faces with four equivalent Re(2)Pa4Re8 cuboctahedra, and faces with six equivalent Pa(1)Re12 cuboctahedra. is represented by the CIF card [CIF]
data_PaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.846
_cell_length_b   4.846
_cell_length_c   4.846
_cell_angle_alpha   127.345
_cell_angle_beta   127.345
_cell_angle_gamma   77.688
_symmetry_Int_Tables_number   1
_cell_volume   69.748
_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
  Re  Re1  1  0.750  0.250  0.500  1.0
  Re  Re2  1  0.250  0.750  0.500  1.0
  Re  Re3  1  0.500  0.500  0.000  1.0
[/CIF]
.