The material described by Re6P13 crystallizes in the trigonal R-3 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one P(2), one P(4), one P(5), and three equivalent P(3) atoms to form distorted ReP6 octahedra that share corners with four equivalent Re(1)P6 octahedra,  a cornercorner with one P(4)Re3P tetrahedra, corners with two equivalent P(2)Re2P2 tetrahedra, corners with two equivalent P(5)Re2P2 tetrahedra, and  an edgeedge with one Re(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one P(1), one P(2), one P(3), one P(5), and two equivalent P(4) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Re(2) and one P(1) atom to form PRe3P trigonal pyramids that share corners with three equivalent P(2)Re2P2 tetrahedra, corners with three equivalent P(5)Re2P2 tetrahedra, and corners with six equivalent P(4)Re3P tetrahedra. In the second P site, P(2) is bonded to one Re(1), one Re(2), and two equivalent P(2) atoms to form distorted PRe2P2 tetrahedra that share corners with two equivalent Re(1)P6 octahedra, corners with two equivalent P(2)Re2P2 tetrahedra, corners with two equivalent P(5)Re2P2 tetrahedra, corners with three equivalent P(4)Re3P tetrahedra, and  a cornercorner with one P(1)Re3P trigonal pyramid. The corner-sharing octahedral tilt angles range from 66-67°. In the third P site, P(3) is bonded in a 4-coordinate geometry to one Re(2) and three equivalent Re(1) atoms. In the fourth P site, P(4) is bonded to one Re(1), two equivalent Re(2), and one P(5) atom to form distorted PRe3P tetrahedra that share  a cornercorner with one Re(1)P6 octahedra, corners with two equivalent P(4)Re3P tetrahedra, corners with three equivalent P(2)Re2P2 tetrahedra, corners with four equivalent P(5)Re2P2 tetrahedra, and corners with two equivalent P(1)Re3P trigonal pyramids. The corner-sharing octahedral tilt angles are 62°. In the fifth P site, P(5) is bonded to one Re(1), one Re(2), one P(4), and one P(5) atom to form distorted PRe2P2 tetrahedra that share corners with two equivalent Re(1)P6 octahedra, corners with two equivalent P(2)Re2P2 tetrahedra, corners with four equivalent P(4)Re3P tetrahedra, and  a cornercorner with one P(1)Re3P trigonal pyramid. The corner-sharing octahedral tilt angles range from 69-74°. is represented by the CIF card [CIF]
data_Re6P13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.524
_cell_length_b   9.524
_cell_length_c   9.524
_cell_angle_alpha   111.748
_cell_angle_beta   111.748
_cell_angle_gamma   111.748
_symmetry_Int_Tables_number   1
_cell_volume   602.425
_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
  Re  Re0  1  0.821  0.910  0.331  1.0
  Re  Re1  1  0.910  0.331  0.821  1.0
  Re  Re2  1  0.331  0.821  0.910  1.0
  Re  Re3  1  0.179  0.090  0.669  1.0
  Re  Re4  1  0.090  0.669  0.179  1.0
  Re  Re5  1  0.669  0.179  0.090  1.0
  Re  Re6  1  0.834  0.730  0.503  1.0
  Re  Re7  1  0.730  0.503  0.834  1.0
  Re  Re8  1  0.503  0.834  0.730  1.0
  Re  Re9  1  0.166  0.270  0.497  1.0
  Re  Re10  1  0.270  0.497  0.166  1.0
  Re  Re11  1  0.497  0.166  0.270  1.0
  P  P12  1  0.369  0.369  0.369  1.0
  P  P13  1  0.631  0.631  0.631  1.0
  P  P14  1  0.964  0.003  0.196  1.0
  P  P15  1  0.003  0.196  0.964  1.0
  P  P16  1  0.196  0.964  0.003  1.0
  P  P17  1  0.036  0.997  0.804  1.0
  P  P18  1  0.997  0.804  0.036  1.0
  P  P19  1  0.804  0.036  0.997  1.0
  P  P20  1  0.380  0.008  0.795  1.0
  P  P21  1  0.008  0.795  0.380  1.0
  P  P22  1  0.795  0.380  0.008  1.0
  P  P23  1  0.620  0.992  0.205  1.0
  P  P24  1  0.992  0.205  0.620  1.0
  P  P25  1  0.205  0.620  0.992  1.0
  P  P26  1  0.403  0.226  0.612  1.0
  P  P27  1  0.226  0.612  0.403  1.0
  P  P28  1  0.612  0.403  0.226  1.0
  P  P29  1  0.597  0.774  0.388  1.0
  P  P30  1  0.774  0.388  0.597  1.0
  P  P31  1  0.388  0.597  0.774  1.0
  P  P32  1  0.604  0.612  0.000  1.0
  P  P33  1  0.612  0.000  0.604  1.0
  P  P34  1  0.000  0.604  0.612  1.0
  P  P35  1  0.396  0.388  1.000  1.0
  P  P36  1  0.388  1.000  0.396  1.0
  P  P37  1  1.000  0.396  0.388  1.0
[/CIF]
.
The material described by Re6P13 crystallizes in the trigonal R-3 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one P(2), one P(4), one P(5), and three equivalent P(3) atoms to form distorted ReP6 octahedra that share corners with four equivalent Re(1)P6 octahedra,  a cornercorner with one P(4)Re3P tetrahedra, corners with two equivalent P(2)Re2P2 tetrahedra, corners with two equivalent P(5)Re2P2 tetrahedra, and  an edgeedge with one Re(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one P(1), one P(2), one P(3), one P(5), and two equivalent P(4) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Re(2) and one P(1) atom to form PRe3P trigonal pyramids that share corners with three equivalent P(2)Re2P2 tetrahedra, corners with three equivalent P(5)Re2P2 tetrahedra, and corners with six equivalent P(4)Re3P tetrahedra. In the second P site, P(2) is bonded to one Re(1), one Re(2), and two equivalent P(2) atoms to form distorted PRe2P2 tetrahedra that share corners with two equivalent Re(1)P6 octahedra, corners with two equivalent P(2)Re2P2 tetrahedra, corners with two equivalent P(5)Re2P2 tetrahedra, corners with three equivalent P(4)Re3P tetrahedra, and  a cornercorner with one P(1)Re3P trigonal pyramid. The corner-sharing octahedral tilt angles range from 66-67°. In the third P site, P(3) is bonded in a 4-coordinate geometry to one Re(2) and three equivalent Re(1) atoms. In the fourth P site, P(4) is bonded to one Re(1), two equivalent Re(2), and one P(5) atom to form distorted PRe3P tetrahedra that share  a cornercorner with one Re(1)P6 octahedra, corners with two equivalent P(4)Re3P tetrahedra, corners with three equivalent P(2)Re2P2 tetrahedra, corners with four equivalent P(5)Re2P2 tetrahedra, and corners with two equivalent P(1)Re3P trigonal pyramids. The corner-sharing octahedral tilt angles are 62°. In the fifth P site, P(5) is bonded to one Re(1), one Re(2), one P(4), and one P(5) atom to form distorted PRe2P2 tetrahedra that share corners with two equivalent Re(1)P6 octahedra, corners with two equivalent P(2)Re2P2 tetrahedra, corners with four equivalent P(4)Re3P tetrahedra, and  a cornercorner with one P(1)Re3P trigonal pyramid. The corner-sharing octahedral tilt angles range from 69-74°. is represented by the CIF card [CIF]
data_Re6P13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.524
_cell_length_b   9.524
_cell_length_c   9.524
_cell_angle_alpha   111.748
_cell_angle_beta   111.748
_cell_angle_gamma   111.748
_symmetry_Int_Tables_number   1
_cell_volume   602.425
_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
  Re  Re0  1  0.821  0.910  0.331  1.0
  Re  Re1  1  0.910  0.331  0.821  1.0
  Re  Re2  1  0.331  0.821  0.910  1.0
  Re  Re3  1  0.179  0.090  0.669  1.0
  Re  Re4  1  0.090  0.669  0.179  1.0
  Re  Re5  1  0.669  0.179  0.090  1.0
  Re  Re6  1  0.834  0.730  0.503  1.0
  Re  Re7  1  0.730  0.503  0.834  1.0
  Re  Re8  1  0.503  0.834  0.730  1.0
  Re  Re9  1  0.166  0.270  0.497  1.0
  Re  Re10  1  0.270  0.497  0.166  1.0
  Re  Re11  1  0.497  0.166  0.270  1.0
  P  P12  1  0.369  0.369  0.369  1.0
  P  P13  1  0.631  0.631  0.631  1.0
  P  P14  1  0.964  0.003  0.196  1.0
  P  P15  1  0.003  0.196  0.964  1.0
  P  P16  1  0.196  0.964  0.003  1.0
  P  P17  1  0.036  0.997  0.804  1.0
  P  P18  1  0.997  0.804  0.036  1.0
  P  P19  1  0.804  0.036  0.997  1.0
  P  P20  1  0.380  0.008  0.795  1.0
  P  P21  1  0.008  0.795  0.380  1.0
  P  P22  1  0.795  0.380  0.008  1.0
  P  P23  1  0.620  0.992  0.205  1.0
  P  P24  1  0.992  0.205  0.620  1.0
  P  P25  1  0.205  0.620  0.992  1.0
  P  P26  1  0.403  0.226  0.612  1.0
  P  P27  1  0.226  0.612  0.403  1.0
  P  P28  1  0.612  0.403  0.226  1.0
  P  P29  1  0.597  0.774  0.388  1.0
  P  P30  1  0.774  0.388  0.597  1.0
  P  P31  1  0.388  0.597  0.774  1.0
  P  P32  1  0.604  0.612  0.000  1.0
  P  P33  1  0.612  0.000  0.604  1.0
  P  P34  1  0.000  0.604  0.612  1.0
  P  P35  1  0.396  0.388  1.000  1.0
  P  P36  1  0.388  1.000  0.396  1.0
  P  P37  1  1.000  0.396  0.388  1.0
[/CIF]
.