The material described by Cr5S8 crystallizes in the triclinic P-1 space group. There are nine inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(12), one S(3), one S(6), one S(7), and one S(9) atom to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Cr site, Cr(2) is bonded to one S(1), one S(10), one S(11), one S(2), one S(3), and one S(5) atom to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the third Cr site, Cr(3) is bonded to two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth Cr site, Cr(4) is bonded to one S(10), one S(12), one S(3), one S(4), one S(6), and one S(9) atom to form a mixture of corner and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Cr site, Cr(5) is bonded to one S(11), one S(4), one S(5), one S(7), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the sixth Cr site, Cr(6) is bonded to one S(1), one S(10), one S(8), one S(9), and two equivalent S(6) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the seventh Cr site, Cr(7) is bonded to two equivalent S(10), two equivalent S(11), and two equivalent S(8) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the eighth Cr site, Cr(8) is bonded to one S(2), one S(3), one S(4), one S(7), and two equivalent S(12) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the ninth Cr site, Cr(9) is bonded to two equivalent S(5), two equivalent S(7), and two equivalent S(8) atoms to form a mixture of corner and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(6) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(8) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(4), and one Cr(8) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(3), one Cr(4), one Cr(5), and one Cr(8) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), one Cr(5), and one Cr(9) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), and two equivalent Cr(6) atoms. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(5), one Cr(8), and one Cr(9) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Cr(5), one Cr(6), one Cr(7), and one Cr(9) atom. In the ninth S site, S(9) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(5), and one Cr(6) atom. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), one Cr(6), and one Cr(7) atom. In the eleventh S site, S(11) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(5), and one Cr(7) atom. In the twelfth S site, S(12) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), and two equivalent Cr(8) atoms. is represented by the CIF file [CIF]
data_Cr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.870
_cell_length_b   8.872
_cell_length_c   10.348
_cell_angle_alpha   112.883
_cell_angle_beta   112.855
_cell_angle_gamma   84.596
_symmetry_Int_Tables_number   1
_cell_volume   689.794
_cell_formula_units_Z   3
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
  Cr  Cr0  1  0.253  0.248  0.002  1.0
  Cr  Cr1  1  0.748  0.747  0.664  1.0
  Cr  Cr2  1  0.747  0.752  0.998  1.0
  Cr  Cr3  1  0.252  0.253  0.336  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.750  0.251  0.999  1.0
  Cr  Cr6  1  0.270  0.261  0.674  1.0
  Cr  Cr7  1  0.488  0.980  0.824  1.0
  Cr  Cr8  1  0.512  0.020  0.176  1.0
  Cr  Cr9  1  0.730  0.739  0.326  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.250  0.749  0.001  1.0
  Cr  Cr12  1  0.984  0.484  0.818  1.0
  Cr  Cr13  1  0.016  0.516  0.182  1.0
  Cr  Cr14  1  0.000  0.000  0.500  1.0
  S  S15  1  0.554  0.710  0.754  1.0
  S  S16  1  0.205  0.532  0.416  1.0
  S  S17  1  0.044  0.221  0.087  1.0
  S  S18  1  0.800  0.460  0.250  1.0
  S  S19  1  0.051  0.214  0.428  1.0
  S  S20  1  0.703  0.039  0.074  1.0
  S  S21  1  0.052  0.208  0.749  1.0
  S  S22  1  0.708  0.034  0.416  1.0
  S  S23  1  0.297  0.961  0.926  1.0
  S  S24  1  0.542  0.719  0.084  1.0
  S  S25  1  0.949  0.786  0.572  1.0
  S  S26  1  0.303  0.961  0.250  1.0
  S  S27  1  0.200  0.540  0.750  1.0
  S  S28  1  0.547  0.716  0.426  1.0
  S  S29  1  0.956  0.779  0.913  1.0
  S  S30  1  0.203  0.535  0.074  1.0
  S  S31  1  0.795  0.468  0.584  1.0
  S  S32  1  0.446  0.290  0.246  1.0
  S  S33  1  0.797  0.465  0.926  1.0
  S  S34  1  0.453  0.284  0.574  1.0
  S  S35  1  0.697  0.039  0.750  1.0
  S  S36  1  0.458  0.281  0.916  1.0
  S  S37  1  0.292  0.966  0.584  1.0
  S  S38  1  0.948  0.792  0.251  1.0
[/CIF]
.
The material described by Cr5S8 crystallizes in the triclinic P-1 space group. There are nine inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(12), one S(3), one S(6), one S(7), and one S(9) atom to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Cr site, Cr(2) is bonded to one S(1), one S(10), one S(11), one S(2), one S(3), and one S(5) atom to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the third Cr site, Cr(3) is bonded to two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth Cr site, Cr(4) is bonded to one S(10), one S(12), one S(3), one S(4), one S(6), and one S(9) atom to form a mixture of corner and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Cr site, Cr(5) is bonded to one S(11), one S(4), one S(5), one S(7), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the sixth Cr site, Cr(6) is bonded to one S(1), one S(10), one S(8), one S(9), and two equivalent S(6) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the seventh Cr site, Cr(7) is bonded to two equivalent S(10), two equivalent S(11), and two equivalent S(8) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the eighth Cr site, Cr(8) is bonded to one S(2), one S(3), one S(4), one S(7), and two equivalent S(12) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the ninth Cr site, Cr(9) is bonded to two equivalent S(5), two equivalent S(7), and two equivalent S(8) atoms to form a mixture of corner and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(6) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(8) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(4), and one Cr(8) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(3), one Cr(4), one Cr(5), and one Cr(8) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), one Cr(5), and one Cr(9) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), and two equivalent Cr(6) atoms. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(5), one Cr(8), and one Cr(9) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Cr(5), one Cr(6), one Cr(7), and one Cr(9) atom. In the ninth S site, S(9) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(5), and one Cr(6) atom. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), one Cr(6), and one Cr(7) atom. In the eleventh S site, S(11) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(5), and one Cr(7) atom. In the twelfth S site, S(12) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), and two equivalent Cr(8) atoms. is represented by the CIF file [CIF]
data_Cr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.870
_cell_length_b   8.872
_cell_length_c   10.348
_cell_angle_alpha   112.883
_cell_angle_beta   112.855
_cell_angle_gamma   84.596
_symmetry_Int_Tables_number   1
_cell_volume   689.794
_cell_formula_units_Z   3
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
  Cr  Cr0  1  0.253  0.248  0.002  1.0
  Cr  Cr1  1  0.748  0.747  0.664  1.0
  Cr  Cr2  1  0.747  0.752  0.998  1.0
  Cr  Cr3  1  0.252  0.253  0.336  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.750  0.251  0.999  1.0
  Cr  Cr6  1  0.270  0.261  0.674  1.0
  Cr  Cr7  1  0.488  0.980  0.824  1.0
  Cr  Cr8  1  0.512  0.020  0.176  1.0
  Cr  Cr9  1  0.730  0.739  0.326  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.250  0.749  0.001  1.0
  Cr  Cr12  1  0.984  0.484  0.818  1.0
  Cr  Cr13  1  0.016  0.516  0.182  1.0
  Cr  Cr14  1  0.000  0.000  0.500  1.0
  S  S15  1  0.554  0.710  0.754  1.0
  S  S16  1  0.205  0.532  0.416  1.0
  S  S17  1  0.044  0.221  0.087  1.0
  S  S18  1  0.800  0.460  0.250  1.0
  S  S19  1  0.051  0.214  0.428  1.0
  S  S20  1  0.703  0.039  0.074  1.0
  S  S21  1  0.052  0.208  0.749  1.0
  S  S22  1  0.708  0.034  0.416  1.0
  S  S23  1  0.297  0.961  0.926  1.0
  S  S24  1  0.542  0.719  0.084  1.0
  S  S25  1  0.949  0.786  0.572  1.0
  S  S26  1  0.303  0.961  0.250  1.0
  S  S27  1  0.200  0.540  0.750  1.0
  S  S28  1  0.547  0.716  0.426  1.0
  S  S29  1  0.956  0.779  0.913  1.0
  S  S30  1  0.203  0.535  0.074  1.0
  S  S31  1  0.795  0.468  0.584  1.0
  S  S32  1  0.446  0.290  0.246  1.0
  S  S33  1  0.797  0.465  0.926  1.0
  S  S34  1  0.453  0.284  0.574  1.0
  S  S35  1  0.697  0.039  0.750  1.0
  S  S36  1  0.458  0.281  0.916  1.0
  S  S37  1  0.292  0.966  0.584  1.0
  S  S38  1  0.948  0.792  0.251  1.0
[/CIF]
.