The compound described by Cs(CrS2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form edge-sharing CrS6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form edge-sharing CrS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cs(1), one Cs(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing SCs2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cr(1), and two equivalent Cr(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cs(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   6.892
_cell_length_c   16.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   688.103
_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  0.363  0.000  0.000  1.0
  Cs  Cs1  1  0.637  0.500  0.500  1.0
  Cs  Cs2  1  0.033  0.000  0.500  1.0
  Cs  Cs3  1  0.967  0.500  0.000  1.0
  Cr  Cr4  1  0.006  0.000  0.251  1.0
  Cr  Cr5  1  0.006  0.000  0.749  1.0
  Cr  Cr6  1  0.994  0.500  0.249  1.0
  Cr  Cr7  1  0.994  0.500  0.751  1.0
  Cr  Cr8  1  0.500  0.250  0.250  1.0
  Cr  Cr9  1  0.500  0.750  0.750  1.0
  Cr  Cr10  1  0.500  0.750  0.250  1.0
  Cr  Cr11  1  0.500  0.250  0.750  1.0
  S  S12  1  0.834  0.250  0.330  1.0
  S  S13  1  0.834  0.750  0.670  1.0
  S  S14  1  0.166  0.750  0.170  1.0
  S  S15  1  0.166  0.250  0.830  1.0
  S  S16  1  0.166  0.250  0.170  1.0
  S  S17  1  0.166  0.750  0.830  1.0
  S  S18  1  0.834  0.750  0.330  1.0
  S  S19  1  0.834  0.250  0.670  1.0
  S  S20  1  0.673  0.000  0.171  1.0
  S  S21  1  0.673  0.000  0.829  1.0
  S  S22  1  0.327  0.500  0.329  1.0
  S  S23  1  0.327  0.500  0.671  1.0
  S  S24  1  0.340  0.000  0.330  1.0
  S  S25  1  0.340  0.000  0.670  1.0
  S  S26  1  0.660  0.500  0.170  1.0
  S  S27  1  0.660  0.500  0.830  1.0
[/CIF]
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The compound described by Cs(CrS2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form edge-sharing CrS6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form edge-sharing CrS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cs(1), one Cs(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing SCs2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cr(1), and two equivalent Cr(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cs(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   6.892
_cell_length_c   16.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   688.103
_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  0.363  0.000  0.000  1.0
  Cs  Cs1  1  0.637  0.500  0.500  1.0
  Cs  Cs2  1  0.033  0.000  0.500  1.0
  Cs  Cs3  1  0.967  0.500  0.000  1.0
  Cr  Cr4  1  0.006  0.000  0.251  1.0
  Cr  Cr5  1  0.006  0.000  0.749  1.0
  Cr  Cr6  1  0.994  0.500  0.249  1.0
  Cr  Cr7  1  0.994  0.500  0.751  1.0
  Cr  Cr8  1  0.500  0.250  0.250  1.0
  Cr  Cr9  1  0.500  0.750  0.750  1.0
  Cr  Cr10  1  0.500  0.750  0.250  1.0
  Cr  Cr11  1  0.500  0.250  0.750  1.0
  S  S12  1  0.834  0.250  0.330  1.0
  S  S13  1  0.834  0.750  0.670  1.0
  S  S14  1  0.166  0.750  0.170  1.0
  S  S15  1  0.166  0.250  0.830  1.0
  S  S16  1  0.166  0.250  0.170  1.0
  S  S17  1  0.166  0.750  0.830  1.0
  S  S18  1  0.834  0.750  0.330  1.0
  S  S19  1  0.834  0.250  0.670  1.0
  S  S20  1  0.673  0.000  0.171  1.0
  S  S21  1  0.673  0.000  0.829  1.0
  S  S22  1  0.327  0.500  0.329  1.0
  S  S23  1  0.327  0.500  0.671  1.0
  S  S24  1  0.340  0.000  0.330  1.0
  S  S25  1  0.340  0.000  0.670  1.0
  S  S26  1  0.660  0.500  0.170  1.0
  S  S27  1  0.660  0.500  0.830  1.0
[/CIF]
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