The crystal structure described by Cs2Re2Se5 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 9-coordinate geometry to one Se(3), one Se(4), three equivalent Se(2), and four equivalent Se(1) atoms. Re(1) is bonded to one Se(1), one Se(3), and three equivalent Se(2) atoms to form distorted edge-sharing ReSe5 square pyramids. There are four inequivalent Se sites. In the first Se site, Se(4) is bonded to six equivalent Cs(1) atoms to form distorted face-sharing SeCs6 pentagonal pyramids. In the second Se site, Se(1) is bonded in a 1-coordinate geometry to four equivalent Cs(1) and one Re(1) atom. In the third Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. In the fourth Se site, Se(3) is bonded to three equivalent Cs(1) and three equivalent Re(1) atoms to form distorted face-sharing SeCs3Re3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Re2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.955
_cell_length_b   12.955
_cell_length_c   12.955
_cell_angle_alpha   70.013
_cell_angle_beta   70.013
_cell_angle_gamma   70.013
_symmetry_Int_Tables_number   1
_cell_volume   1856.750
_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  0.321  0.123  0.535  1.0
  Cs  Cs1  1  0.679  0.877  0.465  1.0
  Cs  Cs2  1  0.465  0.679  0.877  1.0
  Cs  Cs3  1  0.123  0.535  0.321  1.0
  Cs  Cs4  1  0.179  0.965  0.377  1.0
  Cs  Cs5  1  0.035  0.623  0.821  1.0
  Cs  Cs6  1  0.623  0.821  0.035  1.0
  Cs  Cs7  1  0.877  0.465  0.679  1.0
  Cs  Cs8  1  0.821  0.035  0.623  1.0
  Cs  Cs9  1  0.535  0.321  0.123  1.0
  Cs  Cs10  1  0.965  0.377  0.179  1.0
  Cs  Cs11  1  0.377  0.179  0.965  1.0
  Re  Re12  1  0.427  0.631  0.553  1.0
  Re  Re13  1  0.447  0.573  0.369  1.0
  Re  Re14  1  0.573  0.369  0.447  1.0
  Re  Re15  1  0.869  0.073  0.947  1.0
  Re  Re16  1  0.927  0.053  0.131  1.0
  Re  Re17  1  0.947  0.869  0.073  1.0
  Re  Re18  1  0.369  0.447  0.573  1.0
  Re  Re19  1  0.053  0.131  0.927  1.0
  Re  Re20  1  0.631  0.553  0.427  1.0
  Re  Re21  1  0.553  0.427  0.631  1.0
  Re  Re22  1  0.131  0.927  0.053  1.0
  Re  Re23  1  0.073  0.947  0.869  1.0
  Se  Se24  1  0.686  0.147  0.871  1.0
  Se  Se25  1  0.253  0.646  0.496  1.0
  Se  Se26  1  0.147  0.871  0.686  1.0
  Se  Se27  1  0.853  0.129  0.314  1.0
  Se  Se28  1  0.607  0.607  0.607  1.0
  Se  Se29  1  0.996  0.146  0.753  1.0
  Se  Se30  1  0.496  0.253  0.646  1.0
  Se  Se31  1  0.353  0.814  0.629  1.0
  Se  Se32  1  0.004  0.854  0.247  1.0
  Se  Se33  1  0.854  0.247  0.004  1.0
  Se  Se34  1  0.146  0.753  0.996  1.0
  Se  Se35  1  0.354  0.504  0.747  1.0
  Se  Se36  1  0.814  0.629  0.353  1.0
  Se  Se37  1  0.393  0.393  0.393  1.0
  Se  Se38  1  0.247  0.004  0.854  1.0
  Se  Se39  1  0.107  0.107  0.107  1.0
  Se  Se40  1  0.647  0.186  0.371  1.0
  Se  Se41  1  0.753  0.996  0.146  1.0
  Se  Se42  1  0.371  0.647  0.186  1.0
  Se  Se43  1  0.129  0.314  0.853  1.0
  Se  Se44  1  0.186  0.371  0.647  1.0
  Se  Se45  1  0.893  0.893  0.893  1.0
  Se  Se46  1  0.629  0.353  0.814  1.0
  Se  Se47  1  0.504  0.747  0.354  1.0
  Se  Se48  1  0.747  0.354  0.504  1.0
  Se  Se49  1  0.646  0.496  0.253  1.0
  Se  Se50  1  0.250  0.250  0.250  1.0
  Se  Se51  1  0.314  0.853  0.129  1.0
  Se  Se52  1  0.871  0.686  0.147  1.0
  Se  Se53  1  0.750  0.750  0.750  1.0
[/CIF]
.
The crystal structure described by Cs2Re2Se5 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 9-coordinate geometry to one Se(3), one Se(4), three equivalent Se(2), and four equivalent Se(1) atoms. Re(1) is bonded to one Se(1), one Se(3), and three equivalent Se(2) atoms to form distorted edge-sharing ReSe5 square pyramids. There are four inequivalent Se sites. In the first Se site, Se(4) is bonded to six equivalent Cs(1) atoms to form distorted face-sharing SeCs6 pentagonal pyramids. In the second Se site, Se(1) is bonded in a 1-coordinate geometry to four equivalent Cs(1) and one Re(1) atom. In the third Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. In the fourth Se site, Se(3) is bonded to three equivalent Cs(1) and three equivalent Re(1) atoms to form distorted face-sharing SeCs3Re3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Re2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.955
_cell_length_b   12.955
_cell_length_c   12.955
_cell_angle_alpha   70.013
_cell_angle_beta   70.013
_cell_angle_gamma   70.013
_symmetry_Int_Tables_number   1
_cell_volume   1856.750
_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  0.321  0.123  0.535  1.0
  Cs  Cs1  1  0.679  0.877  0.465  1.0
  Cs  Cs2  1  0.465  0.679  0.877  1.0
  Cs  Cs3  1  0.123  0.535  0.321  1.0
  Cs  Cs4  1  0.179  0.965  0.377  1.0
  Cs  Cs5  1  0.035  0.623  0.821  1.0
  Cs  Cs6  1  0.623  0.821  0.035  1.0
  Cs  Cs7  1  0.877  0.465  0.679  1.0
  Cs  Cs8  1  0.821  0.035  0.623  1.0
  Cs  Cs9  1  0.535  0.321  0.123  1.0
  Cs  Cs10  1  0.965  0.377  0.179  1.0
  Cs  Cs11  1  0.377  0.179  0.965  1.0
  Re  Re12  1  0.427  0.631  0.553  1.0
  Re  Re13  1  0.447  0.573  0.369  1.0
  Re  Re14  1  0.573  0.369  0.447  1.0
  Re  Re15  1  0.869  0.073  0.947  1.0
  Re  Re16  1  0.927  0.053  0.131  1.0
  Re  Re17  1  0.947  0.869  0.073  1.0
  Re  Re18  1  0.369  0.447  0.573  1.0
  Re  Re19  1  0.053  0.131  0.927  1.0
  Re  Re20  1  0.631  0.553  0.427  1.0
  Re  Re21  1  0.553  0.427  0.631  1.0
  Re  Re22  1  0.131  0.927  0.053  1.0
  Re  Re23  1  0.073  0.947  0.869  1.0
  Se  Se24  1  0.686  0.147  0.871  1.0
  Se  Se25  1  0.253  0.646  0.496  1.0
  Se  Se26  1  0.147  0.871  0.686  1.0
  Se  Se27  1  0.853  0.129  0.314  1.0
  Se  Se28  1  0.607  0.607  0.607  1.0
  Se  Se29  1  0.996  0.146  0.753  1.0
  Se  Se30  1  0.496  0.253  0.646  1.0
  Se  Se31  1  0.353  0.814  0.629  1.0
  Se  Se32  1  0.004  0.854  0.247  1.0
  Se  Se33  1  0.854  0.247  0.004  1.0
  Se  Se34  1  0.146  0.753  0.996  1.0
  Se  Se35  1  0.354  0.504  0.747  1.0
  Se  Se36  1  0.814  0.629  0.353  1.0
  Se  Se37  1  0.393  0.393  0.393  1.0
  Se  Se38  1  0.247  0.004  0.854  1.0
  Se  Se39  1  0.107  0.107  0.107  1.0
  Se  Se40  1  0.647  0.186  0.371  1.0
  Se  Se41  1  0.753  0.996  0.146  1.0
  Se  Se42  1  0.371  0.647  0.186  1.0
  Se  Se43  1  0.129  0.314  0.853  1.0
  Se  Se44  1  0.186  0.371  0.647  1.0
  Se  Se45  1  0.893  0.893  0.893  1.0
  Se  Se46  1  0.629  0.353  0.814  1.0
  Se  Se47  1  0.504  0.747  0.354  1.0
  Se  Se48  1  0.747  0.354  0.504  1.0
  Se  Se49  1  0.646  0.496  0.253  1.0
  Se  Se50  1  0.250  0.250  0.250  1.0
  Se  Se51  1  0.314  0.853  0.129  1.0
  Se  Se52  1  0.871  0.686  0.147  1.0
  Se  Se53  1  0.750  0.750  0.750  1.0
[/CIF]
.