The compound described by Rb3FeS3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Fe(1), two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. Fe(1) is bonded to one Rb(3), one S(2), one S(3), and two equivalent S(1) atoms to form edge-sharing FeRbS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), three equivalent Rb(3), and one Fe(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Rb3FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.011
_cell_length_b   7.979
_cell_length_c   10.455
_cell_angle_alpha   52.791
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   864.439
_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  0.926  0.644  0.611  1.0
  Rb  Rb1  1  0.426  0.356  0.889  1.0
  Rb  Rb2  1  0.074  0.356  0.389  1.0
  Rb  Rb3  1  0.574  0.644  0.111  1.0
  Rb  Rb4  1  0.634  0.616  0.520  1.0
  Rb  Rb5  1  0.134  0.384  0.980  1.0
  Rb  Rb6  1  0.366  0.384  0.480  1.0
  Rb  Rb7  1  0.866  0.616  0.020  1.0
  Rb  Rb8  1  0.808  0.132  0.581  1.0
  Rb  Rb9  1  0.308  0.868  0.919  1.0
  Rb  Rb10  1  0.192  0.868  0.419  1.0
  Rb  Rb11  1  0.692  0.132  0.081  1.0
  Fe  Fe12  1  0.557  0.936  0.658  1.0
  Fe  Fe13  1  0.057  0.064  0.842  1.0
  Fe  Fe14  1  0.443  0.064  0.342  1.0
  Fe  Fe15  1  0.943  0.936  0.158  1.0
  S  S16  1  0.107  0.860  0.114  1.0
  S  S17  1  0.607  0.140  0.386  1.0
  S  S18  1  0.893  0.140  0.886  1.0
  S  S19  1  0.393  0.860  0.614  1.0
  S  S20  1  0.049  0.881  0.743  1.0
  S  S21  1  0.549  0.119  0.757  1.0
  S  S22  1  0.951  0.119  0.257  1.0
  S  S23  1  0.451  0.881  0.243  1.0
  S  S24  1  0.661  0.655  0.808  1.0
  S  S25  1  0.161  0.345  0.692  1.0
  S  S26  1  0.339  0.345  0.192  1.0
  S  S27  1  0.839  0.655  0.308  1.0
[/CIF]
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The compound described by Rb3FeS3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Fe(1), two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. Fe(1) is bonded to one Rb(3), one S(2), one S(3), and two equivalent S(1) atoms to form edge-sharing FeRbS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), three equivalent Rb(3), and one Fe(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Rb3FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.011
_cell_length_b   7.979
_cell_length_c   10.455
_cell_angle_alpha   52.791
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   864.439
_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  0.926  0.644  0.611  1.0
  Rb  Rb1  1  0.426  0.356  0.889  1.0
  Rb  Rb2  1  0.074  0.356  0.389  1.0
  Rb  Rb3  1  0.574  0.644  0.111  1.0
  Rb  Rb4  1  0.634  0.616  0.520  1.0
  Rb  Rb5  1  0.134  0.384  0.980  1.0
  Rb  Rb6  1  0.366  0.384  0.480  1.0
  Rb  Rb7  1  0.866  0.616  0.020  1.0
  Rb  Rb8  1  0.808  0.132  0.581  1.0
  Rb  Rb9  1  0.308  0.868  0.919  1.0
  Rb  Rb10  1  0.192  0.868  0.419  1.0
  Rb  Rb11  1  0.692  0.132  0.081  1.0
  Fe  Fe12  1  0.557  0.936  0.658  1.0
  Fe  Fe13  1  0.057  0.064  0.842  1.0
  Fe  Fe14  1  0.443  0.064  0.342  1.0
  Fe  Fe15  1  0.943  0.936  0.158  1.0
  S  S16  1  0.107  0.860  0.114  1.0
  S  S17  1  0.607  0.140  0.386  1.0
  S  S18  1  0.893  0.140  0.886  1.0
  S  S19  1  0.393  0.860  0.614  1.0
  S  S20  1  0.049  0.881  0.743  1.0
  S  S21  1  0.549  0.119  0.757  1.0
  S  S22  1  0.951  0.119  0.257  1.0
  S  S23  1  0.451  0.881  0.243  1.0
  S  S24  1  0.661  0.655  0.808  1.0
  S  S25  1  0.161  0.345  0.692  1.0
  S  S26  1  0.339  0.345  0.192  1.0
  S  S27  1  0.839  0.655  0.308  1.0
[/CIF]
.