The compound described by Rb2Cu2Sb2S5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(4), three equivalent S(1), and three equivalent S(2) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one S(4), three equivalent S(5), and four equivalent S(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(4) atoms to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Sb(2), one S(2), and two equivalent S(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(4) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Cu(2), one S(3), and two equivalent S(5) atoms. There are five inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Rb(2), one Cu(1), and one Sb(2) atom. In the second S site, S(4) is bonded to one Rb(1), one Rb(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SRb2Cu2Sb trigonal bipyramids. In the third S site, S(5) is bonded in a 5-coordinate geometry to three equivalent Rb(2) and two equivalent Sb(2) atoms. In the fourth S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1), two equivalent Cu(2), and one Sb(1) atom. In the fifth S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Rb(1), one Cu(1), one Cu(2), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Cu2Sb2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.462
_cell_length_b   6.684
_cell_length_c   16.766
_cell_angle_alpha   80.210
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1155.371
_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  0.359  0.239  0.462  1.0
  Rb  Rb1  1  0.859  0.261  0.538  1.0
  Rb  Rb2  1  0.641  0.761  0.538  1.0
  Rb  Rb3  1  0.141  0.739  0.462  1.0
  Rb  Rb4  1  0.117  0.735  0.067  1.0
  Rb  Rb5  1  0.617  0.765  0.933  1.0
  Rb  Rb6  1  0.883  0.265  0.933  1.0
  Rb  Rb7  1  0.383  0.235  0.067  1.0
  Cu  Cu8  1  0.361  0.577  0.254  1.0
  Cu  Cu9  1  0.861  0.923  0.746  1.0
  Cu  Cu10  1  0.639  0.423  0.746  1.0
  Cu  Cu11  1  0.139  0.077  0.254  1.0
  Cu  Cu12  1  0.648  0.522  0.354  1.0
  Cu  Cu13  1  0.148  0.978  0.646  1.0
  Cu  Cu14  1  0.352  0.478  0.646  1.0
  Cu  Cu15  1  0.852  0.022  0.354  1.0
  Sb  Sb16  1  0.537  0.011  0.283  1.0
  Sb  Sb17  1  0.037  0.489  0.717  1.0
  Sb  Sb18  1  0.463  0.989  0.717  1.0
  Sb  Sb19  1  0.963  0.511  0.283  1.0
  Sb  Sb20  1  0.650  0.619  0.183  1.0
  Sb  Sb21  1  0.150  0.881  0.817  1.0
  Sb  Sb22  1  0.350  0.381  0.817  1.0
  Sb  Sb23  1  0.850  0.119  0.183  1.0
  S  S24  1  0.659  0.174  0.384  1.0
  S  S25  1  0.159  0.326  0.616  1.0
  S  S26  1  0.341  0.826  0.616  1.0
  S  S27  1  0.841  0.674  0.384  1.0
  S  S28  1  0.462  0.693  0.368  1.0
  S  S29  1  0.962  0.807  0.632  1.0
  S  S30  1  0.538  0.307  0.632  1.0
  S  S31  1  0.038  0.193  0.368  1.0
  S  S32  1  0.445  0.719  0.124  1.0
  S  S33  1  0.945  0.781  0.876  1.0
  S  S34  1  0.555  0.281  0.876  1.0
  S  S35  1  0.055  0.219  0.124  1.0
  S  S36  1  0.343  0.220  0.268  1.0
  S  S37  1  0.843  0.280  0.732  1.0
  S  S38  1  0.657  0.780  0.732  1.0
  S  S39  1  0.157  0.720  0.268  1.0
  S  S40  1  0.807  0.856  0.097  1.0
  S  S41  1  0.307  0.644  0.903  1.0
  S  S42  1  0.193  0.144  0.903  1.0
  S  S43  1  0.693  0.356  0.097  1.0
[/CIF]
.
The compound described by Rb2Cu2Sb2S5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(4), three equivalent S(1), and three equivalent S(2) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one S(4), three equivalent S(5), and four equivalent S(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(4) atoms to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Sb(2), one S(2), and two equivalent S(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(4) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Cu(2), one S(3), and two equivalent S(5) atoms. There are five inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Rb(2), one Cu(1), and one Sb(2) atom. In the second S site, S(4) is bonded to one Rb(1), one Rb(2), two equivalent Cu(1), and one Sb(1) atom to form corner-sharing SRb2Cu2Sb trigonal bipyramids. In the third S site, S(5) is bonded in a 5-coordinate geometry to three equivalent Rb(2) and two equivalent Sb(2) atoms. In the fourth S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1), two equivalent Cu(2), and one Sb(1) atom. In the fifth S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Rb(1), one Cu(1), one Cu(2), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Cu2Sb2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.462
_cell_length_b   6.684
_cell_length_c   16.766
_cell_angle_alpha   80.210
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1155.371
_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  0.359  0.239  0.462  1.0
  Rb  Rb1  1  0.859  0.261  0.538  1.0
  Rb  Rb2  1  0.641  0.761  0.538  1.0
  Rb  Rb3  1  0.141  0.739  0.462  1.0
  Rb  Rb4  1  0.117  0.735  0.067  1.0
  Rb  Rb5  1  0.617  0.765  0.933  1.0
  Rb  Rb6  1  0.883  0.265  0.933  1.0
  Rb  Rb7  1  0.383  0.235  0.067  1.0
  Cu  Cu8  1  0.361  0.577  0.254  1.0
  Cu  Cu9  1  0.861  0.923  0.746  1.0
  Cu  Cu10  1  0.639  0.423  0.746  1.0
  Cu  Cu11  1  0.139  0.077  0.254  1.0
  Cu  Cu12  1  0.648  0.522  0.354  1.0
  Cu  Cu13  1  0.148  0.978  0.646  1.0
  Cu  Cu14  1  0.352  0.478  0.646  1.0
  Cu  Cu15  1  0.852  0.022  0.354  1.0
  Sb  Sb16  1  0.537  0.011  0.283  1.0
  Sb  Sb17  1  0.037  0.489  0.717  1.0
  Sb  Sb18  1  0.463  0.989  0.717  1.0
  Sb  Sb19  1  0.963  0.511  0.283  1.0
  Sb  Sb20  1  0.650  0.619  0.183  1.0
  Sb  Sb21  1  0.150  0.881  0.817  1.0
  Sb  Sb22  1  0.350  0.381  0.817  1.0
  Sb  Sb23  1  0.850  0.119  0.183  1.0
  S  S24  1  0.659  0.174  0.384  1.0
  S  S25  1  0.159  0.326  0.616  1.0
  S  S26  1  0.341  0.826  0.616  1.0
  S  S27  1  0.841  0.674  0.384  1.0
  S  S28  1  0.462  0.693  0.368  1.0
  S  S29  1  0.962  0.807  0.632  1.0
  S  S30  1  0.538  0.307  0.632  1.0
  S  S31  1  0.038  0.193  0.368  1.0
  S  S32  1  0.445  0.719  0.124  1.0
  S  S33  1  0.945  0.781  0.876  1.0
  S  S34  1  0.555  0.281  0.876  1.0
  S  S35  1  0.055  0.219  0.124  1.0
  S  S36  1  0.343  0.220  0.268  1.0
  S  S37  1  0.843  0.280  0.732  1.0
  S  S38  1  0.657  0.780  0.732  1.0
  S  S39  1  0.157  0.720  0.268  1.0
  S  S40  1  0.807  0.856  0.097  1.0
  S  S41  1  0.307  0.644  0.903  1.0
  S  S42  1  0.193  0.144  0.903  1.0
  S  S43  1  0.693  0.356  0.097  1.0
[/CIF]
.