The crystal structure described by Cs2Re2S5 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 5-coordinate geometry to one S(1), one S(4), two equivalent S(3), and three equivalent S(2) atoms. Re(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form distorted edge-sharing ReS5 square pyramids. There are four inequivalent S sites. In the first S site, S(4) is bonded to six equivalent Cs(1) atoms to form distorted face-sharing SCs6 pentagonal pyramids. In the second S site, S(1) is bonded to three equivalent Cs(1) and three equivalent Re(1) atoms to form distorted face-sharing SCs3Re3 octahedra. In the third S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. In the fourth S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Re(1), and one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Re2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.547
_cell_length_b   12.547
_cell_length_c   12.547
_cell_angle_alpha   69.090
_cell_angle_beta   69.090
_cell_angle_gamma   69.090
_symmetry_Int_Tables_number   1
_cell_volume   1662.904
_cell_formula_units_Z   6
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
  Cs  Cs0  1  0.471  0.872  0.681  1.0
  Cs  Cs1  1  0.128  0.319  0.529  1.0
  Cs  Cs2  1  0.872  0.681  0.471  1.0
  Cs  Cs3  1  0.372  0.971  0.181  1.0
  Cs  Cs4  1  0.029  0.819  0.628  1.0
  Cs  Cs5  1  0.971  0.181  0.372  1.0
  Cs  Cs6  1  0.181  0.372  0.971  1.0
  Cs  Cs7  1  0.319  0.529  0.128  1.0
  Cs  Cs8  1  0.628  0.029  0.819  1.0
  Cs  Cs9  1  0.819  0.628  0.029  1.0
  Cs  Cs10  1  0.529  0.128  0.319  1.0
  Cs  Cs11  1  0.681  0.471  0.872  1.0
  Re  Re12  1  0.943  0.078  0.865  1.0
  Re  Re13  1  0.365  0.578  0.443  1.0
  Re  Re14  1  0.922  0.135  0.057  1.0
  Re  Re15  1  0.443  0.365  0.578  1.0
  Re  Re16  1  0.078  0.865  0.943  1.0
  Re  Re17  1  0.865  0.943  0.078  1.0
  Re  Re18  1  0.635  0.422  0.557  1.0
  Re  Re19  1  0.422  0.557  0.635  1.0
  Re  Re20  1  0.578  0.443  0.365  1.0
  Re  Re21  1  0.557  0.635  0.422  1.0
  Re  Re22  1  0.057  0.922  0.135  1.0
  Re  Re23  1  0.135  0.057  0.922  1.0
  S  S24  1  0.604  0.604  0.604  1.0
  S  S25  1  0.253  0.500  0.644  1.0
  S  S26  1  0.185  0.657  0.370  1.0
  S  S27  1  0.747  0.500  0.356  1.0
  S  S28  1  0.657  0.370  0.185  1.0
  S  S29  1  1.000  0.753  0.144  1.0
  S  S30  1  0.247  0.856  0.000  1.0
  S  S31  1  0.500  0.644  0.253  1.0
  S  S32  1  0.370  0.185  0.657  1.0
  S  S33  1  0.157  0.685  0.870  1.0
  S  S34  1  0.685  0.870  0.157  1.0
  S  S35  1  0.500  0.356  0.747  1.0
  S  S36  1  0.870  0.157  0.685  1.0
  S  S37  1  0.815  0.343  0.630  1.0
  S  S38  1  0.144  1.000  0.753  1.0
  S  S39  1  0.000  0.247  0.856  1.0
  S  S40  1  0.356  0.747  0.500  1.0
  S  S41  1  0.315  0.130  0.843  1.0
  S  S42  1  0.130  0.843  0.315  1.0
  S  S43  1  0.896  0.896  0.896  1.0
  S  S44  1  0.644  0.253  0.500  1.0
  S  S45  1  0.104  0.104  0.104  1.0
  S  S46  1  0.343  0.630  0.815  1.0
  S  S47  1  0.856  0.000  0.247  1.0
  S  S48  1  0.630  0.815  0.343  1.0
  S  S49  1  0.843  0.315  0.130  1.0
  S  S50  1  0.396  0.396  0.396  1.0
  S  S51  1  0.250  0.250  0.250  1.0
  S  S52  1  0.750  0.750  0.750  1.0
  S  S53  1  0.753  0.144  1.000  1.0
[/CIF]
.
The crystal structure described by Cs2Re2S5 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 5-coordinate geometry to one S(1), one S(4), two equivalent S(3), and three equivalent S(2) atoms. Re(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form distorted edge-sharing ReS5 square pyramids. There are four inequivalent S sites. In the first S site, S(4) is bonded to six equivalent Cs(1) atoms to form distorted face-sharing SCs6 pentagonal pyramids. In the second S site, S(1) is bonded to three equivalent Cs(1) and three equivalent Re(1) atoms to form distorted face-sharing SCs3Re3 octahedra. In the third S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. In the fourth S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Re(1), and one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Re2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.547
_cell_length_b   12.547
_cell_length_c   12.547
_cell_angle_alpha   69.090
_cell_angle_beta   69.090
_cell_angle_gamma   69.090
_symmetry_Int_Tables_number   1
_cell_volume   1662.904
_cell_formula_units_Z   6
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
  Cs  Cs0  1  0.471  0.872  0.681  1.0
  Cs  Cs1  1  0.128  0.319  0.529  1.0
  Cs  Cs2  1  0.872  0.681  0.471  1.0
  Cs  Cs3  1  0.372  0.971  0.181  1.0
  Cs  Cs4  1  0.029  0.819  0.628  1.0
  Cs  Cs5  1  0.971  0.181  0.372  1.0
  Cs  Cs6  1  0.181  0.372  0.971  1.0
  Cs  Cs7  1  0.319  0.529  0.128  1.0
  Cs  Cs8  1  0.628  0.029  0.819  1.0
  Cs  Cs9  1  0.819  0.628  0.029  1.0
  Cs  Cs10  1  0.529  0.128  0.319  1.0
  Cs  Cs11  1  0.681  0.471  0.872  1.0
  Re  Re12  1  0.943  0.078  0.865  1.0
  Re  Re13  1  0.365  0.578  0.443  1.0
  Re  Re14  1  0.922  0.135  0.057  1.0
  Re  Re15  1  0.443  0.365  0.578  1.0
  Re  Re16  1  0.078  0.865  0.943  1.0
  Re  Re17  1  0.865  0.943  0.078  1.0
  Re  Re18  1  0.635  0.422  0.557  1.0
  Re  Re19  1  0.422  0.557  0.635  1.0
  Re  Re20  1  0.578  0.443  0.365  1.0
  Re  Re21  1  0.557  0.635  0.422  1.0
  Re  Re22  1  0.057  0.922  0.135  1.0
  Re  Re23  1  0.135  0.057  0.922  1.0
  S  S24  1  0.604  0.604  0.604  1.0
  S  S25  1  0.253  0.500  0.644  1.0
  S  S26  1  0.185  0.657  0.370  1.0
  S  S27  1  0.747  0.500  0.356  1.0
  S  S28  1  0.657  0.370  0.185  1.0
  S  S29  1  1.000  0.753  0.144  1.0
  S  S30  1  0.247  0.856  0.000  1.0
  S  S31  1  0.500  0.644  0.253  1.0
  S  S32  1  0.370  0.185  0.657  1.0
  S  S33  1  0.157  0.685  0.870  1.0
  S  S34  1  0.685  0.870  0.157  1.0
  S  S35  1  0.500  0.356  0.747  1.0
  S  S36  1  0.870  0.157  0.685  1.0
  S  S37  1  0.815  0.343  0.630  1.0
  S  S38  1  0.144  1.000  0.753  1.0
  S  S39  1  0.000  0.247  0.856  1.0
  S  S40  1  0.356  0.747  0.500  1.0
  S  S41  1  0.315  0.130  0.843  1.0
  S  S42  1  0.130  0.843  0.315  1.0
  S  S43  1  0.896  0.896  0.896  1.0
  S  S44  1  0.644  0.253  0.500  1.0
  S  S45  1  0.104  0.104  0.104  1.0
  S  S46  1  0.343  0.630  0.815  1.0
  S  S47  1  0.856  0.000  0.247  1.0
  S  S48  1  0.630  0.815  0.343  1.0
  S  S49  1  0.843  0.315  0.130  1.0
  S  S50  1  0.396  0.396  0.396  1.0
  S  S51  1  0.250  0.250  0.250  1.0
  S  S52  1  0.750  0.750  0.750  1.0
  S  S53  1  0.753  0.144  1.000  1.0
[/CIF]
.