The structure described by Rb3(Cu4S3)2 crystallizes in the monoclinic C2/m 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), two equivalent S(3), and three equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a distorted body-centered cubic geometry to four equivalent S(2) and four equivalent S(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(1) atoms. In the third Cu site, Cu(3) is bonded in a distorted bent 120 degrees geometry to one S(2), one S(3), and two equivalent S(1) atoms. In the fourth Cu site, Cu(4) is bonded to one S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 9-coordinate geometry to three equivalent Rb(1), one Cu(1), one Cu(4), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(3), and three equivalent Cu(4) atoms. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3(Cu4S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.127
_cell_length_b   9.127
_cell_length_c   9.951
_cell_angle_alpha   72.474
_cell_angle_beta   72.474
_cell_angle_gamma   24.387
_symmetry_Int_Tables_number   1
_cell_volume   325.591
_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
  Rb  Rb0  1  0.693  0.693  0.700  1.0
  Rb  Rb1  1  0.307  0.307  0.300  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.485  0.485  0.638  1.0
  Cu  Cu4  1  0.087  0.087  0.464  1.0
  Cu  Cu5  1  0.905  0.905  0.793  1.0
  Cu  Cu6  1  0.697  0.697  0.089  1.0
  Cu  Cu7  1  0.303  0.303  0.911  1.0
  Cu  Cu8  1  0.913  0.913  0.536  1.0
  Cu  Cu9  1  0.095  0.095  0.207  1.0
  Cu  Cu10  1  0.515  0.515  0.362  1.0
  S  S11  1  0.351  0.351  0.653  1.0
  S  S12  1  0.164  0.164  0.981  1.0
  S  S13  1  0.960  0.960  0.299  1.0
  S  S14  1  0.040  0.040  0.701  1.0
  S  S15  1  0.649  0.649  0.347  1.0
  S  S16  1  0.836  0.836  0.019  1.0
[/CIF]
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The structure described by Rb3(Cu4S3)2 crystallizes in the monoclinic C2/m 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), two equivalent S(3), and three equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a distorted body-centered cubic geometry to four equivalent S(2) and four equivalent S(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(1) atoms. In the third Cu site, Cu(3) is bonded in a distorted bent 120 degrees geometry to one S(2), one S(3), and two equivalent S(1) atoms. In the fourth Cu site, Cu(4) is bonded to one S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 9-coordinate geometry to three equivalent Rb(1), one Cu(1), one Cu(4), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(3), and three equivalent Cu(4) atoms. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3(Cu4S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.127
_cell_length_b   9.127
_cell_length_c   9.951
_cell_angle_alpha   72.474
_cell_angle_beta   72.474
_cell_angle_gamma   24.387
_symmetry_Int_Tables_number   1
_cell_volume   325.591
_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
  Rb  Rb0  1  0.693  0.693  0.700  1.0
  Rb  Rb1  1  0.307  0.307  0.300  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.485  0.485  0.638  1.0
  Cu  Cu4  1  0.087  0.087  0.464  1.0
  Cu  Cu5  1  0.905  0.905  0.793  1.0
  Cu  Cu6  1  0.697  0.697  0.089  1.0
  Cu  Cu7  1  0.303  0.303  0.911  1.0
  Cu  Cu8  1  0.913  0.913  0.536  1.0
  Cu  Cu9  1  0.095  0.095  0.207  1.0
  Cu  Cu10  1  0.515  0.515  0.362  1.0
  S  S11  1  0.351  0.351  0.653  1.0
  S  S12  1  0.164  0.164  0.981  1.0
  S  S13  1  0.960  0.960  0.299  1.0
  S  S14  1  0.040  0.040  0.701  1.0
  S  S15  1  0.649  0.649  0.347  1.0
  S  S16  1  0.836  0.836  0.019  1.0
[/CIF]
.