The material structure described by RbCu3S2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent S(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted bent 120 degrees geometry to one S(1) and one S(2) atom. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Rb(1), one Cu(1), one Cu(2), and two equivalent Cu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.886
_cell_length_b   7.549
_cell_length_c   8.456
_cell_angle_alpha   110.993
_cell_angle_beta   90.000
_cell_angle_gamma   104.913
_symmetry_Int_Tables_number   1
_cell_volume   222.613
_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  0.865  0.730  0.957  1.0
  Rb  Rb1  1  0.135  0.270  0.043  1.0
  Cu  Cu2  1  0.407  0.814  0.365  1.0
  Cu  Cu3  1  0.310  0.619  0.574  1.0
  Cu  Cu4  1  0.066  0.132  0.413  1.0
  Cu  Cu5  1  0.934  0.868  0.587  1.0
  Cu  Cu6  1  0.690  0.381  0.426  1.0
  Cu  Cu7  1  0.593  0.186  0.635  1.0
  S  S8  1  0.809  0.618  0.320  1.0
  S  S9  1  0.191  0.382  0.680  1.0
  S  S10  1  0.525  0.051  0.251  1.0
  S  S11  1  0.475  0.949  0.749  1.0
[/CIF]
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The material structure described by RbCu3S2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent S(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted bent 120 degrees geometry to one S(1) and one S(2) atom. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Rb(1), one Cu(1), one Cu(2), and two equivalent Cu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.886
_cell_length_b   7.549
_cell_length_c   8.456
_cell_angle_alpha   110.993
_cell_angle_beta   90.000
_cell_angle_gamma   104.913
_symmetry_Int_Tables_number   1
_cell_volume   222.613
_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  0.865  0.730  0.957  1.0
  Rb  Rb1  1  0.135  0.270  0.043  1.0
  Cu  Cu2  1  0.407  0.814  0.365  1.0
  Cu  Cu3  1  0.310  0.619  0.574  1.0
  Cu  Cu4  1  0.066  0.132  0.413  1.0
  Cu  Cu5  1  0.934  0.868  0.587  1.0
  Cu  Cu6  1  0.690  0.381  0.426  1.0
  Cu  Cu7  1  0.593  0.186  0.635  1.0
  S  S8  1  0.809  0.618  0.320  1.0
  S  S9  1  0.191  0.382  0.680  1.0
  S  S10  1  0.525  0.051  0.251  1.0
  S  S11  1  0.475  0.949  0.749  1.0
[/CIF]
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