The compound described by RbK(Fe2S3)2 crystallizes in the orthorhombic Amm2 space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent S(4), four equivalent S(1), and four equivalent S(2) atoms. K(1) is bonded in a 10-coordinate geometry to two equivalent S(3), four equivalent S(1), and four equivalent S(2) atoms. Fe(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing FeS4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), two equivalent K(1), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1), two equivalent K(1), and two equivalent Fe(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1) and four equivalent Fe(1) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_KRb(Fe2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.194
_cell_length_b   7.194
_cell_length_c   5.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.783
_symmetry_Int_Tables_number   1
_cell_volume   261.295
_cell_formula_units_Z   1
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
  K  K0  1  0.330  0.670  0.500  1.0
  Rb  Rb1  1  0.671  0.329  0.000  1.0
  Fe  Fe2  1  0.858  0.859  0.250  1.0
  Fe  Fe3  1  0.858  0.859  0.750  1.0
  Fe  Fe4  1  0.141  0.142  0.250  1.0
  Fe  Fe5  1  0.141  0.142  0.750  1.0
  S  S6  1  0.617  0.830  0.000  1.0
  S  S7  1  0.834  0.620  0.500  1.0
  S  S8  1  0.380  0.166  0.500  1.0
  S  S9  1  0.170  0.383  0.000  1.0
  S  S10  1  0.108  0.892  0.000  1.0
  S  S11  1  0.892  0.108  0.500  1.0
[/CIF]
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The compound described by RbK(Fe2S3)2 crystallizes in the orthorhombic Amm2 space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent S(4), four equivalent S(1), and four equivalent S(2) atoms. K(1) is bonded in a 10-coordinate geometry to two equivalent S(3), four equivalent S(1), and four equivalent S(2) atoms. Fe(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing FeS4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), two equivalent K(1), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1), two equivalent K(1), and two equivalent Fe(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1) and four equivalent Fe(1) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_KRb(Fe2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.194
_cell_length_b   7.194
_cell_length_c   5.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.783
_symmetry_Int_Tables_number   1
_cell_volume   261.295
_cell_formula_units_Z   1
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
  K  K0  1  0.330  0.670  0.500  1.0
  Rb  Rb1  1  0.671  0.329  0.000  1.0
  Fe  Fe2  1  0.858  0.859  0.250  1.0
  Fe  Fe3  1  0.858  0.859  0.750  1.0
  Fe  Fe4  1  0.141  0.142  0.250  1.0
  Fe  Fe5  1  0.141  0.142  0.750  1.0
  S  S6  1  0.617  0.830  0.000  1.0
  S  S7  1  0.834  0.620  0.500  1.0
  S  S8  1  0.380  0.166  0.500  1.0
  S  S9  1  0.170  0.383  0.000  1.0
  S  S10  1  0.108  0.892  0.000  1.0
  S  S11  1  0.892  0.108  0.500  1.0
[/CIF]
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