The material structure described by Rb(CrS2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Rb site, Rb(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 Rb(1), one Rb(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing SRb2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Rb(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 Rb(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Rb(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   6.877
_cell_length_c   15.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   654.457
_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
  Rb  Rb0  1  0.360  0.000  0.000  1.0
  Rb  Rb1  1  0.640  0.500  0.500  1.0
  Rb  Rb2  1  0.028  0.000  0.500  1.0
  Rb  Rb3  1  0.972  0.500  0.000  1.0
  Cr  Cr4  1  0.003  0.000  0.250  1.0
  Cr  Cr5  1  0.003  0.000  0.750  1.0
  Cr  Cr6  1  0.997  0.500  0.250  1.0
  Cr  Cr7  1  0.997  0.500  0.750  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  0.334  1.0
  S  S13  1  0.834  0.750  0.666  1.0
  S  S14  1  0.166  0.750  0.166  1.0
  S  S15  1  0.166  0.250  0.834  1.0
  S  S16  1  0.166  0.250  0.166  1.0
  S  S17  1  0.166  0.750  0.834  1.0
  S  S18  1  0.834  0.750  0.334  1.0
  S  S19  1  0.834  0.250  0.666  1.0
  S  S20  1  0.672  0.000  0.167  1.0
  S  S21  1  0.672  0.000  0.833  1.0
  S  S22  1  0.328  0.500  0.333  1.0
  S  S23  1  0.328  0.500  0.667  1.0
  S  S24  1  0.338  0.000  0.333  1.0
  S  S25  1  0.338  0.000  0.667  1.0
  S  S26  1  0.662  0.500  0.167  1.0
  S  S27  1  0.662  0.500  0.833  1.0
[/CIF]
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The material structure described by Rb(CrS2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Rb site, Rb(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 Rb(1), one Rb(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing SRb2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Rb(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 Rb(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Rb(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   6.877
_cell_length_c   15.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   654.457
_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
  Rb  Rb0  1  0.360  0.000  0.000  1.0
  Rb  Rb1  1  0.640  0.500  0.500  1.0
  Rb  Rb2  1  0.028  0.000  0.500  1.0
  Rb  Rb3  1  0.972  0.500  0.000  1.0
  Cr  Cr4  1  0.003  0.000  0.250  1.0
  Cr  Cr5  1  0.003  0.000  0.750  1.0
  Cr  Cr6  1  0.997  0.500  0.250  1.0
  Cr  Cr7  1  0.997  0.500  0.750  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  0.334  1.0
  S  S13  1  0.834  0.750  0.666  1.0
  S  S14  1  0.166  0.750  0.166  1.0
  S  S15  1  0.166  0.250  0.834  1.0
  S  S16  1  0.166  0.250  0.166  1.0
  S  S17  1  0.166  0.750  0.834  1.0
  S  S18  1  0.834  0.750  0.334  1.0
  S  S19  1  0.834  0.250  0.666  1.0
  S  S20  1  0.672  0.000  0.167  1.0
  S  S21  1  0.672  0.000  0.833  1.0
  S  S22  1  0.328  0.500  0.333  1.0
  S  S23  1  0.328  0.500  0.667  1.0
  S  S24  1  0.338  0.000  0.333  1.0
  S  S25  1  0.338  0.000  0.667  1.0
  S  S26  1  0.662  0.500  0.167  1.0
  S  S27  1  0.662  0.500  0.833  1.0
[/CIF]
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