The crystal structure described by Cs(CrS2)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), two equivalent S(4), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(1), and three equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cs(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing SCs2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent Cs(1) and three equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing SCs2Cr3 square pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Cr(2), and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Cs(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.595
_cell_length_b   12.069
_cell_length_c   13.288
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.527
_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
  Cs  Cs0  1  0.250  0.243  0.337  1.0
  Cs  Cs1  1  0.750  0.757  0.663  1.0
  Cs  Cs2  1  0.750  0.257  0.837  1.0
  Cs  Cs3  1  0.250  0.743  0.163  1.0
  Cr  Cr4  1  0.250  0.072  0.101  1.0
  Cr  Cr5  1  0.750  0.928  0.899  1.0
  Cr  Cr6  1  0.750  0.428  0.601  1.0
  Cr  Cr7  1  0.250  0.572  0.399  1.0
  Cr  Cr8  1  0.250  0.069  0.604  1.0
  Cr  Cr9  1  0.750  0.931  0.396  1.0
  Cr  Cr10  1  0.750  0.431  0.104  1.0
  Cr  Cr11  1  0.250  0.569  0.896  1.0
  S  S12  1  0.750  0.021  0.715  1.0
  S  S13  1  0.250  0.979  0.285  1.0
  S  S14  1  0.250  0.479  0.215  1.0
  S  S15  1  0.750  0.521  0.785  1.0
  S  S16  1  0.250  0.054  0.925  1.0
  S  S17  1  0.750  0.946  0.075  1.0
  S  S18  1  0.750  0.446  0.425  1.0
  S  S19  1  0.250  0.554  0.575  1.0
  S  S20  1  0.750  0.099  0.491  1.0
  S  S21  1  0.250  0.901  0.509  1.0
  S  S22  1  0.250  0.401  0.991  1.0
  S  S23  1  0.750  0.599  0.009  1.0
  S  S24  1  0.750  0.204  0.123  1.0
  S  S25  1  0.250  0.796  0.877  1.0
  S  S26  1  0.250  0.296  0.623  1.0
  S  S27  1  0.750  0.704  0.377  1.0
[/CIF]
.
The crystal structure described by Cs(CrS2)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), two equivalent S(4), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(1), and three equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cs(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing SCs2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent Cs(1) and three equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing SCs2Cr3 square pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Cr(2), and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Cs(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.595
_cell_length_b   12.069
_cell_length_c   13.288
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.527
_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
  Cs  Cs0  1  0.250  0.243  0.337  1.0
  Cs  Cs1  1  0.750  0.757  0.663  1.0
  Cs  Cs2  1  0.750  0.257  0.837  1.0
  Cs  Cs3  1  0.250  0.743  0.163  1.0
  Cr  Cr4  1  0.250  0.072  0.101  1.0
  Cr  Cr5  1  0.750  0.928  0.899  1.0
  Cr  Cr6  1  0.750  0.428  0.601  1.0
  Cr  Cr7  1  0.250  0.572  0.399  1.0
  Cr  Cr8  1  0.250  0.069  0.604  1.0
  Cr  Cr9  1  0.750  0.931  0.396  1.0
  Cr  Cr10  1  0.750  0.431  0.104  1.0
  Cr  Cr11  1  0.250  0.569  0.896  1.0
  S  S12  1  0.750  0.021  0.715  1.0
  S  S13  1  0.250  0.979  0.285  1.0
  S  S14  1  0.250  0.479  0.215  1.0
  S  S15  1  0.750  0.521  0.785  1.0
  S  S16  1  0.250  0.054  0.925  1.0
  S  S17  1  0.750  0.946  0.075  1.0
  S  S18  1  0.750  0.446  0.425  1.0
  S  S19  1  0.250  0.554  0.575  1.0
  S  S20  1  0.750  0.099  0.491  1.0
  S  S21  1  0.250  0.901  0.509  1.0
  S  S22  1  0.250  0.401  0.991  1.0
  S  S23  1  0.750  0.599  0.009  1.0
  S  S24  1  0.750  0.204  0.123  1.0
  S  S25  1  0.250  0.796  0.877  1.0
  S  S26  1  0.250  0.296  0.623  1.0
  S  S27  1  0.750  0.704  0.377  1.0
[/CIF]
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