The structure described by KCr5S8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 10-coordinate geometry to two equivalent S(4), four equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(4), two equivalent S(1), and three equivalent S(2) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third Cr site, Cr(3) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cr(1) and three equivalent Cr(2) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Cr(3), and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Cr(1), one Cr(2), and two equivalent Cr(3) atoms. is represented by the CIF file [CIF]
data_KCr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.494
_cell_length_b   8.704
_cell_length_c   9.159
_cell_angle_alpha   105.162
_cell_angle_beta   100.995
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.510
_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
  K  K0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.704  0.335  0.408  1.0
  Cr  Cr2  1  0.342  0.028  0.684  1.0
  Cr  Cr3  1  0.658  0.972  0.316  1.0
  Cr  Cr4  1  1.000  1.000  1.000  1.0
  Cr  Cr5  1  0.296  0.665  0.592  1.0
  S  S6  1  0.237  0.155  0.475  1.0
  S  S7  1  0.763  0.845  0.525  1.0
  S  S8  1  0.171  0.487  0.342  1.0
  S  S9  1  0.829  0.513  0.658  1.0
  S  S10  1  0.084  0.825  0.168  1.0
  S  S11  1  0.916  0.175  0.832  1.0
  S  S12  1  0.423  0.852  0.846  1.0
  S  S13  1  0.577  0.148  0.154  1.0
[/CIF]
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The structure described by KCr5S8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 10-coordinate geometry to two equivalent S(4), four equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(4), two equivalent S(1), and three equivalent S(2) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third Cr site, Cr(3) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cr(1) and three equivalent Cr(2) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Cr(3), and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Cr(1), one Cr(2), and two equivalent Cr(3) atoms. is represented by the CIF file [CIF]
data_KCr5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.494
_cell_length_b   8.704
_cell_length_c   9.159
_cell_angle_alpha   105.162
_cell_angle_beta   100.995
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.510
_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
  K  K0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.704  0.335  0.408  1.0
  Cr  Cr2  1  0.342  0.028  0.684  1.0
  Cr  Cr3  1  0.658  0.972  0.316  1.0
  Cr  Cr4  1  1.000  1.000  1.000  1.0
  Cr  Cr5  1  0.296  0.665  0.592  1.0
  S  S6  1  0.237  0.155  0.475  1.0
  S  S7  1  0.763  0.845  0.525  1.0
  S  S8  1  0.171  0.487  0.342  1.0
  S  S9  1  0.829  0.513  0.658  1.0
  S  S10  1  0.084  0.825  0.168  1.0
  S  S11  1  0.916  0.175  0.832  1.0
  S  S12  1  0.423  0.852  0.846  1.0
  S  S13  1  0.577  0.148  0.154  1.0
[/CIF]
.