The crystal structure described by RbFe2S3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing FeS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and four equivalent Fe(1) atoms. In the second S site, S(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_RbFe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.355
_cell_length_c   5.484
_cell_angle_alpha   90.001
_cell_angle_beta   89.998
_cell_angle_gamma   102.322
_symmetry_Int_Tables_number   1
_cell_volume   289.820
_cell_formula_units_Z   2
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  0.672  0.328  0.250  1.0
  Rb  Rb1  1  0.328  0.672  0.750  1.0
  Fe  Fe2  1  0.145  0.145  1.000  1.0
  Fe  Fe3  1  0.855  0.855  0.000  1.0
  Fe  Fe4  1  0.855  0.855  0.500  1.0
  Fe  Fe5  1  0.145  0.145  0.500  1.0
  S  S6  1  0.835  0.617  0.750  1.0
  S  S7  1  0.165  0.383  0.250  1.0
  S  S8  1  0.617  0.835  0.250  1.0
  S  S9  1  0.383  0.165  0.750  1.0
  S  S10  1  0.887  0.113  0.750  1.0
  S  S11  1  0.113  0.887  0.250  1.0
[/CIF]
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The crystal structure described by RbFe2S3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing FeS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and four equivalent Fe(1) atoms. In the second S site, S(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_RbFe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.355
_cell_length_c   5.484
_cell_angle_alpha   90.001
_cell_angle_beta   89.998
_cell_angle_gamma   102.322
_symmetry_Int_Tables_number   1
_cell_volume   289.820
_cell_formula_units_Z   2
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  0.672  0.328  0.250  1.0
  Rb  Rb1  1  0.328  0.672  0.750  1.0
  Fe  Fe2  1  0.145  0.145  1.000  1.0
  Fe  Fe3  1  0.855  0.855  0.000  1.0
  Fe  Fe4  1  0.855  0.855  0.500  1.0
  Fe  Fe5  1  0.145  0.145  0.500  1.0
  S  S6  1  0.835  0.617  0.750  1.0
  S  S7  1  0.165  0.383  0.250  1.0
  S  S8  1  0.617  0.835  0.250  1.0
  S  S9  1  0.383  0.165  0.750  1.0
  S  S10  1  0.887  0.113  0.750  1.0
  S  S11  1  0.113  0.887  0.250  1.0
[/CIF]
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