The material described by Re2O4Cl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re2O4Cl5 clusters. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one Cl(4) atom. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one Cl(1), one Cl(2), one Cl(3), and one Cl(5) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Re(1) and one Re(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Re(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Re(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Re(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Re(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Re(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Re(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Re(2) atom. is represented by the CIF card [CIF]
data_Re2Cl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.598
_cell_length_b   8.889
_cell_length_c   11.195
_cell_angle_alpha   68.371
_cell_angle_beta   81.012
_cell_angle_gamma   79.553
_symmetry_Int_Tables_number   1
_cell_volume   506.859
_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  0.213  0.401  0.352  1.0
  Re  Re1  1  0.354  0.895  0.809  1.0
  Re  Re2  1  0.787  0.599  0.648  1.0
  Re  Re3  1  0.646  0.105  0.191  1.0
  Cl  Cl4  1  0.250  0.634  0.883  1.0
  Cl  Cl5  1  0.611  0.806  0.968  1.0
  Cl  Cl6  1  0.750  0.366  0.117  1.0
  Cl  Cl7  1  0.774  0.071  0.385  1.0
  Cl  Cl8  1  0.389  0.194  0.032  1.0
  Cl  Cl9  1  0.226  0.929  0.615  1.0
  Cl  Cl10  1  0.043  0.628  0.213  1.0
  Cl  Cl11  1  0.420  0.896  0.298  1.0
  Cl  Cl12  1  0.957  0.372  0.787  1.0
  Cl  Cl13  1  0.580  0.104  0.702  1.0
  O  O14  1  0.983  0.666  0.512  1.0
  O  O15  1  0.706  0.750  0.715  1.0
  O  O16  1  0.113  0.991  0.873  1.0
  O  O17  1  0.294  0.250  0.285  1.0
  O  O18  1  0.887  0.009  0.127  1.0
  O  O19  1  0.017  0.334  0.488  1.0
  O  O20  1  0.470  0.439  0.394  1.0
  O  O21  1  0.530  0.561  0.606  1.0
[/CIF]
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The material described by Re2O4Cl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re2O4Cl5 clusters. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one Cl(4) atom. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one Cl(1), one Cl(2), one Cl(3), and one Cl(5) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Re(1) and one Re(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Re(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Re(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Re(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Re(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Re(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Re(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Re(2) atom. is represented by the CIF card [CIF]
data_Re2Cl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.598
_cell_length_b   8.889
_cell_length_c   11.195
_cell_angle_alpha   68.371
_cell_angle_beta   81.012
_cell_angle_gamma   79.553
_symmetry_Int_Tables_number   1
_cell_volume   506.859
_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  0.213  0.401  0.352  1.0
  Re  Re1  1  0.354  0.895  0.809  1.0
  Re  Re2  1  0.787  0.599  0.648  1.0
  Re  Re3  1  0.646  0.105  0.191  1.0
  Cl  Cl4  1  0.250  0.634  0.883  1.0
  Cl  Cl5  1  0.611  0.806  0.968  1.0
  Cl  Cl6  1  0.750  0.366  0.117  1.0
  Cl  Cl7  1  0.774  0.071  0.385  1.0
  Cl  Cl8  1  0.389  0.194  0.032  1.0
  Cl  Cl9  1  0.226  0.929  0.615  1.0
  Cl  Cl10  1  0.043  0.628  0.213  1.0
  Cl  Cl11  1  0.420  0.896  0.298  1.0
  Cl  Cl12  1  0.957  0.372  0.787  1.0
  Cl  Cl13  1  0.580  0.104  0.702  1.0
  O  O14  1  0.983  0.666  0.512  1.0
  O  O15  1  0.706  0.750  0.715  1.0
  O  O16  1  0.113  0.991  0.873  1.0
  O  O17  1  0.294  0.250  0.285  1.0
  O  O18  1  0.887  0.009  0.127  1.0
  O  O19  1  0.017  0.334  0.488  1.0
  O  O20  1  0.470  0.439  0.394  1.0
  O  O21  1  0.530  0.561  0.606  1.0
[/CIF]
.