The material described by Re2PCl crystallizes in the cubic F-43m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 14-coordinate geometry to four equivalent Re(2), four equivalent P(1), and six equivalent Cl(1) atoms. In the second Re site, Re(2) is bonded to four equivalent Re(1) and four equivalent Cl(1) atoms to form distorted edge-sharing ReRe4Cl4 tetrahedra. P(1) is bonded in a distorted body-centered cubic geometry to four equivalent Re(1) and four equivalent Cl(1) atoms. Cl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Re(2), six equivalent Re(1), and four equivalent P(1) atoms. is represented by the CIF file [CIF]
data_Re2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.419
_cell_length_b   4.419
_cell_length_c   4.419
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.018
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.750  0.750  0.750  1.0
  P  P2  1  0.250  0.250  0.250  1.0
  Cl  Cl3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by Re2PCl crystallizes in the cubic F-43m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 14-coordinate geometry to four equivalent Re(2), four equivalent P(1), and six equivalent Cl(1) atoms. In the second Re site, Re(2) is bonded to four equivalent Re(1) and four equivalent Cl(1) atoms to form distorted edge-sharing ReRe4Cl4 tetrahedra. P(1) is bonded in a distorted body-centered cubic geometry to four equivalent Re(1) and four equivalent Cl(1) atoms. Cl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Re(2), six equivalent Re(1), and four equivalent P(1) atoms. is represented by the CIF file [CIF]
data_Re2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.419
_cell_length_b   4.419
_cell_length_c   4.419
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.018
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.750  0.750  0.750  1.0
  P  P2  1  0.250  0.250  0.250  1.0
  Cl  Cl3  1  0.500  0.500  0.500  1.0
[/CIF]
.