The material structure described by Cr5S8 is beta indium sulfide-like structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(12), two equivalent S(10), and two equivalent S(11) atoms to form a mixture of face and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Cr site, Cr(2) is bonded to one S(4), one S(5), two equivalent S(8), and two equivalent S(9) atoms to form a mixture of face and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the third Cr site, Cr(3) is bonded to one S(12), one S(3), two equivalent S(11), and two equivalent S(8) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(2), two equivalent S(10), and two equivalent S(9) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth Cr site, Cr(5) is bonded to one S(4), one S(7), two equivalent S(11), and two equivalent S(8) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth Cr site, Cr(6) is bonded to one S(5), one S(6), two equivalent S(10), and two equivalent S(9) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the seventh Cr site, Cr(7) is bonded to one S(11), one S(12), one S(3), one S(4), one S(7), and one S(8) atom to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the eighth Cr site, Cr(8) is bonded to one S(1), one S(10), one S(2), one S(5), one S(6), and one S(9) atom to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Cr(1), one Cr(4), and two equivalent Cr(8) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(4) and two equivalent Cr(8) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(3) and two equivalent Cr(7) atoms. In the fourth S site, S(4) is bonded to one Cr(2), one Cr(5), and two equivalent Cr(7) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. In the fifth S site, S(5) is bonded to one Cr(2), one Cr(6), and two equivalent Cr(8) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Cr(6) and two equivalent Cr(8) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Cr(5) and two equivalent Cr(7) atoms. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), one Cr(5), and one Cr(7) atom. In the ninth S site, S(9) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), one Cr(6), and one Cr(8) atom. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(6), and one Cr(8) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(3), one Cr(5), and one Cr(7) atom. In the twelfth S site, S(12) is bonded to one Cr(1), one Cr(3), and two equivalent Cr(7) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. is represented by the CIF file [CIF]
data_Cr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.550
_cell_length_b   6.550
_cell_length_c   6.793
_cell_angle_alpha   103.732
_cell_angle_beta   106.254
_cell_angle_gamma   117.618
_symmetry_Int_Tables_number   1
_cell_volume   223.649
_cell_formula_units_Z   1
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  0.002  0.998  1.000  1.0
  Cr  Cr1  1  0.260  0.729  0.989  1.0
  Cr  Cr2  1  0.741  0.274  0.015  1.0
  Cr  Cr3  1  0.775  0.277  0.498  1.0
  Cr  Cr4  1  0.221  0.723  0.498  1.0
  S  S5  1  0.696  0.984  0.680  1.0
  S  S6  1  0.785  0.551  0.337  1.0
  S  S7  1  0.213  0.453  0.665  1.0
  S  S8  1  0.305  0.016  0.322  1.0
  S  S9  1  0.196  0.450  0.170  1.0
  S  S10  1  0.719  0.974  0.170  1.0
  S  S11  1  0.804  0.547  0.829  1.0
  S  S12  1  0.282  0.025  0.829  1.0
[/CIF]
.
The material structure described by Cr5S8 is beta indium sulfide-like structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(12), two equivalent S(10), and two equivalent S(11) atoms to form a mixture of face and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Cr site, Cr(2) is bonded to one S(4), one S(5), two equivalent S(8), and two equivalent S(9) atoms to form a mixture of face and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the third Cr site, Cr(3) is bonded to one S(12), one S(3), two equivalent S(11), and two equivalent S(8) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(2), two equivalent S(10), and two equivalent S(9) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth Cr site, Cr(5) is bonded to one S(4), one S(7), two equivalent S(11), and two equivalent S(8) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth Cr site, Cr(6) is bonded to one S(5), one S(6), two equivalent S(10), and two equivalent S(9) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the seventh Cr site, Cr(7) is bonded to one S(11), one S(12), one S(3), one S(4), one S(7), and one S(8) atom to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the eighth Cr site, Cr(8) is bonded to one S(1), one S(10), one S(2), one S(5), one S(6), and one S(9) atom to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Cr(1), one Cr(4), and two equivalent Cr(8) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(4) and two equivalent Cr(8) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(3) and two equivalent Cr(7) atoms. In the fourth S site, S(4) is bonded to one Cr(2), one Cr(5), and two equivalent Cr(7) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. In the fifth S site, S(5) is bonded to one Cr(2), one Cr(6), and two equivalent Cr(8) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Cr(6) and two equivalent Cr(8) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Cr(5) and two equivalent Cr(7) atoms. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), one Cr(5), and one Cr(7) atom. In the ninth S site, S(9) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), one Cr(6), and one Cr(8) atom. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(6), and one Cr(8) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(3), one Cr(5), and one Cr(7) atom. In the twelfth S site, S(12) is bonded to one Cr(1), one Cr(3), and two equivalent Cr(7) atoms to form a mixture of edge and corner-sharing SCr4 trigonal pyramids. is represented by the CIF file [CIF]
data_Cr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.550
_cell_length_b   6.550
_cell_length_c   6.793
_cell_angle_alpha   103.732
_cell_angle_beta   106.254
_cell_angle_gamma   117.618
_symmetry_Int_Tables_number   1
_cell_volume   223.649
_cell_formula_units_Z   1
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  0.002  0.998  1.000  1.0
  Cr  Cr1  1  0.260  0.729  0.989  1.0
  Cr  Cr2  1  0.741  0.274  0.015  1.0
  Cr  Cr3  1  0.775  0.277  0.498  1.0
  Cr  Cr4  1  0.221  0.723  0.498  1.0
  S  S5  1  0.696  0.984  0.680  1.0
  S  S6  1  0.785  0.551  0.337  1.0
  S  S7  1  0.213  0.453  0.665  1.0
  S  S8  1  0.305  0.016  0.322  1.0
  S  S9  1  0.196  0.450  0.170  1.0
  S  S10  1  0.719  0.974  0.170  1.0
  S  S11  1  0.804  0.547  0.829  1.0
  S  S12  1  0.282  0.025  0.829  1.0
[/CIF]
.