The material described by Re3S4Cl crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(1), one S(2), one S(4), and two equivalent S(3) atoms to form distorted ReS5 square pyramids that share  a cornercorner with one Re(2)S4Cl square pyramid,  a cornercorner with one Re(3)S4Cl square pyramid,  an edgeedge with one Re(1)S5 square pyramid, edges with two equivalent Re(2)S4Cl square pyramids, and edges with two equivalent Re(3)S4Cl square pyramids. In the second Re site, Re(2) is bonded to one S(1), one S(2), one S(3), one S(4), and one Cl(1) atom to form distorted ReS4Cl square pyramids that share  a cornercorner with one Re(3)S4Cl square pyramid,  a cornercorner with one Re(1)S5 square pyramid, edges with two equivalent Re(3)S4Cl square pyramids, and edges with two equivalent Re(1)S5 square pyramids. In the third Re site, Re(3) is bonded to one S(1), one S(2), one S(3), one S(4), and one Cl(1) atom to form distorted ReS4Cl square pyramids that share  a cornercorner with one Re(2)S4Cl square pyramid,  a cornercorner with one Re(1)S5 square pyramid, edges with two equivalent Re(2)S4Cl square pyramids, and edges with two equivalent Re(1)S5 square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Re(2), one Re(3), and two equivalent Re(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. Cl(1) is bonded in a bent 120 degrees geometry to one Re(2) and one Re(3) atom. is represented by the CIF card [CIF]
data_Re3S4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.453
_cell_length_b   6.419
_cell_length_c   11.104
_cell_angle_alpha   66.672
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   749.543
_cell_formula_units_Z   4
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  0.979  0.307  0.936  1.0
  Re  Re1  1  0.021  0.693  0.064  1.0
  Re  Re2  1  0.355  0.031  0.565  1.0
  Re  Re3  1  0.070  0.030  0.845  1.0
  Re  Re4  1  0.570  0.970  0.655  1.0
  Re  Re5  1  0.145  0.031  0.065  1.0
  Re  Re6  1  0.645  0.969  0.435  1.0
  Re  Re7  1  0.430  0.030  0.345  1.0
  Re  Re8  1  0.930  0.970  0.155  1.0
  Re  Re9  1  0.855  0.969  0.935  1.0
  Re  Re10  1  0.521  0.307  0.436  1.0
  Re  Re11  1  0.479  0.693  0.564  1.0
  S  S12  1  0.824  0.659  0.144  1.0
  S  S13  1  0.413  0.715  0.762  1.0
  S  S14  1  0.554  0.726  0.343  1.0
  S  S15  1  0.087  0.715  0.262  1.0
  S  S16  1  0.324  0.341  0.356  1.0
  S  S17  1  0.913  0.285  0.738  1.0
  S  S18  1  0.716  0.230  0.523  1.0
  S  S19  1  0.676  0.659  0.644  1.0
  S  S20  1  0.784  0.230  0.023  1.0
  S  S21  1  0.284  0.770  0.477  1.0
  S  S22  1  0.587  0.285  0.238  1.0
  S  S23  1  0.946  0.726  0.843  1.0
  S  S24  1  0.176  0.341  0.856  1.0
  S  S25  1  0.054  0.274  0.157  1.0
  S  S26  1  0.446  0.274  0.657  1.0
  S  S27  1  0.216  0.770  0.977  1.0
  Cl  Cl28  1  0.847  0.915  0.372  1.0
  Cl  Cl29  1  0.153  0.085  0.628  1.0
  Cl  Cl30  1  0.347  0.085  0.128  1.0
  Cl  Cl31  1  0.653  0.915  0.872  1.0
[/CIF]
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The material described by Re3S4Cl crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(1), one S(2), one S(4), and two equivalent S(3) atoms to form distorted ReS5 square pyramids that share  a cornercorner with one Re(2)S4Cl square pyramid,  a cornercorner with one Re(3)S4Cl square pyramid,  an edgeedge with one Re(1)S5 square pyramid, edges with two equivalent Re(2)S4Cl square pyramids, and edges with two equivalent Re(3)S4Cl square pyramids. In the second Re site, Re(2) is bonded to one S(1), one S(2), one S(3), one S(4), and one Cl(1) atom to form distorted ReS4Cl square pyramids that share  a cornercorner with one Re(3)S4Cl square pyramid,  a cornercorner with one Re(1)S5 square pyramid, edges with two equivalent Re(3)S4Cl square pyramids, and edges with two equivalent Re(1)S5 square pyramids. In the third Re site, Re(3) is bonded to one S(1), one S(2), one S(3), one S(4), and one Cl(1) atom to form distorted ReS4Cl square pyramids that share  a cornercorner with one Re(2)S4Cl square pyramid,  a cornercorner with one Re(1)S5 square pyramid, edges with two equivalent Re(2)S4Cl square pyramids, and edges with two equivalent Re(1)S5 square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Re(2), one Re(3), and two equivalent Re(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. Cl(1) is bonded in a bent 120 degrees geometry to one Re(2) and one Re(3) atom. is represented by the CIF card [CIF]
data_Re3S4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.453
_cell_length_b   6.419
_cell_length_c   11.104
_cell_angle_alpha   66.672
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   749.543
_cell_formula_units_Z   4
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  0.979  0.307  0.936  1.0
  Re  Re1  1  0.021  0.693  0.064  1.0
  Re  Re2  1  0.355  0.031  0.565  1.0
  Re  Re3  1  0.070  0.030  0.845  1.0
  Re  Re4  1  0.570  0.970  0.655  1.0
  Re  Re5  1  0.145  0.031  0.065  1.0
  Re  Re6  1  0.645  0.969  0.435  1.0
  Re  Re7  1  0.430  0.030  0.345  1.0
  Re  Re8  1  0.930  0.970  0.155  1.0
  Re  Re9  1  0.855  0.969  0.935  1.0
  Re  Re10  1  0.521  0.307  0.436  1.0
  Re  Re11  1  0.479  0.693  0.564  1.0
  S  S12  1  0.824  0.659  0.144  1.0
  S  S13  1  0.413  0.715  0.762  1.0
  S  S14  1  0.554  0.726  0.343  1.0
  S  S15  1  0.087  0.715  0.262  1.0
  S  S16  1  0.324  0.341  0.356  1.0
  S  S17  1  0.913  0.285  0.738  1.0
  S  S18  1  0.716  0.230  0.523  1.0
  S  S19  1  0.676  0.659  0.644  1.0
  S  S20  1  0.784  0.230  0.023  1.0
  S  S21  1  0.284  0.770  0.477  1.0
  S  S22  1  0.587  0.285  0.238  1.0
  S  S23  1  0.946  0.726  0.843  1.0
  S  S24  1  0.176  0.341  0.856  1.0
  S  S25  1  0.054  0.274  0.157  1.0
  S  S26  1  0.446  0.274  0.657  1.0
  S  S27  1  0.216  0.770  0.977  1.0
  Cl  Cl28  1  0.847  0.915  0.372  1.0
  Cl  Cl29  1  0.153  0.085  0.628  1.0
  Cl  Cl30  1  0.347  0.085  0.128  1.0
  Cl  Cl31  1  0.653  0.915  0.872  1.0
[/CIF]
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