The crystal structure described by InCr5S8 crystallizes in the monoclinic Cm space group. The structure consists of two 7440-74-6 atoms inside a Cr5S8 framework. In the Cr5S8 framework, there are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(8) 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(6), one S(8), two equivalent S(4), and two equivalent S(7) 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 one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the fourth Cr site, Cr(4) is bonded to one S(3), one S(6), two equivalent S(1), and two equivalent S(4) 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 fifth Cr site, Cr(5) is bonded to one S(4), one S(5), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Cr(3) and two equivalent Cr(4) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(3) and two equivalent Cr(5) atoms. In the third S site, S(3) is bonded to one Cr(4), two equivalent Cr(1), and two equivalent Cr(5) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Cr(5), two equivalent Cr(2), and two equivalent Cr(4) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(5), and two equivalent Cr(3) atoms. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), and two equivalent Cr(3) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(2) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr5InS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.185
_cell_length_b   9.185
_cell_length_c   8.686
_cell_angle_alpha   74.935
_cell_angle_beta   74.935
_cell_angle_gamma   21.805
_symmetry_Int_Tables_number   1
_cell_volume   262.498
_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  0.204  0.204  0.166  1.0
  Cr  Cr1  1  0.796  0.796  0.835  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.841  0.841  0.472  1.0
  Cr  Cr4  1  0.157  0.157  0.530  1.0
  In  In5  1  0.982  0.982  0.004  1.0
  S  S6  1  0.416  0.416  0.324  1.0
  S  S7  1  0.583  0.583  0.676  1.0
  S  S8  1  0.737  0.737  0.346  1.0
  S  S9  1  0.262  0.262  0.657  1.0
  S  S10  1  0.077  0.077  0.352  1.0
  S  S11  1  0.923  0.923  0.648  1.0
  S  S12  1  0.329  0.329  0.989  1.0
  S  S13  1  0.672  0.672  0.012  1.0
[/CIF]
.
The crystal structure described by InCr5S8 crystallizes in the monoclinic Cm space group. The structure consists of two 7440-74-6 atoms inside a Cr5S8 framework. In the Cr5S8 framework, there are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(8) 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(6), one S(8), two equivalent S(4), and two equivalent S(7) 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 one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the fourth Cr site, Cr(4) is bonded to one S(3), one S(6), two equivalent S(1), and two equivalent S(4) 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 fifth Cr site, Cr(5) is bonded to one S(4), one S(5), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Cr(3) and two equivalent Cr(4) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(3) and two equivalent Cr(5) atoms. In the third S site, S(3) is bonded to one Cr(4), two equivalent Cr(1), and two equivalent Cr(5) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Cr(5), two equivalent Cr(2), and two equivalent Cr(4) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(5), and two equivalent Cr(3) atoms. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), and two equivalent Cr(3) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(2) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr5InS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.185
_cell_length_b   9.185
_cell_length_c   8.686
_cell_angle_alpha   74.935
_cell_angle_beta   74.935
_cell_angle_gamma   21.805
_symmetry_Int_Tables_number   1
_cell_volume   262.498
_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  0.204  0.204  0.166  1.0
  Cr  Cr1  1  0.796  0.796  0.835  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.841  0.841  0.472  1.0
  Cr  Cr4  1  0.157  0.157  0.530  1.0
  In  In5  1  0.982  0.982  0.004  1.0
  S  S6  1  0.416  0.416  0.324  1.0
  S  S7  1  0.583  0.583  0.676  1.0
  S  S8  1  0.737  0.737  0.346  1.0
  S  S9  1  0.262  0.262  0.657  1.0
  S  S10  1  0.077  0.077  0.352  1.0
  S  S11  1  0.923  0.923  0.648  1.0
  S  S12  1  0.329  0.329  0.989  1.0
  S  S13  1  0.672  0.672  0.012  1.0
[/CIF]
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