The material structure described by RbTlS2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), and two equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), and two equivalent S(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing TlS4 tetrahedra. In the second Tl site, Tl(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing TlS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Tl(1), and one Tl(2) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Tl(1), and one Tl(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Tl(2) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Tl(1), and one Tl(2) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.046
_cell_length_b   8.045
_cell_length_c   15.845
_cell_angle_alpha   82.613
_cell_angle_beta   82.612
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   1008.538
_cell_formula_units_Z   8
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  0.346  0.223  0.615  1.0
  Rb  Rb1  1  0.654  0.777  0.385  1.0
  Rb  Rb2  1  0.777  0.654  0.885  1.0
  Rb  Rb3  1  0.223  0.346  0.115  1.0
  Rb  Rb4  1  0.775  0.153  0.888  1.0
  Rb  Rb5  1  0.225  0.847  0.112  1.0
  Rb  Rb6  1  0.847  0.225  0.612  1.0
  Rb  Rb7  1  0.153  0.775  0.388  1.0
  Tl  Tl8  1  0.289  0.915  0.841  1.0
  Tl  Tl9  1  0.711  0.085  0.159  1.0
  Tl  Tl10  1  0.085  0.711  0.659  1.0
  Tl  Tl11  1  0.915  0.289  0.341  1.0
  Tl  Tl12  1  0.584  0.711  0.659  1.0
  Tl  Tl13  1  0.416  0.289  0.341  1.0
  Tl  Tl14  1  0.289  0.416  0.841  1.0
  Tl  Tl15  1  0.711  0.584  0.159  1.0
  S  S16  1  0.574  0.951  0.750  1.0
  S  S17  1  0.426  0.049  0.250  1.0
  S  S18  1  0.049  0.426  0.750  1.0
  S  S19  1  0.951  0.574  0.250  1.0
  S  S20  1  0.360  0.735  0.560  1.0
  S  S21  1  0.640  0.265  0.440  1.0
  S  S22  1  0.265  0.640  0.940  1.0
  S  S23  1  0.735  0.360  0.060  1.0
  S  S24  1  0.574  0.426  0.750  1.0
  S  S25  1  0.426  0.574  0.250  1.0
  S  S26  1  0.266  0.140  0.940  1.0
  S  S27  1  0.734  0.860  0.060  1.0
  S  S28  1  0.860  0.734  0.560  1.0
  S  S29  1  0.140  0.266  0.440  1.0
  S  S30  1  0.050  0.950  0.750  1.0
  S  S31  1  0.950  0.050  0.250  1.0
[/CIF]
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The material structure described by RbTlS2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), and two equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), and two equivalent S(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing TlS4 tetrahedra. In the second Tl site, Tl(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing TlS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Tl(1), and one Tl(2) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Tl(1), and one Tl(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Tl(2) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Tl(1), and one Tl(2) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.046
_cell_length_b   8.045
_cell_length_c   15.845
_cell_angle_alpha   82.613
_cell_angle_beta   82.612
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   1008.538
_cell_formula_units_Z   8
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  0.346  0.223  0.615  1.0
  Rb  Rb1  1  0.654  0.777  0.385  1.0
  Rb  Rb2  1  0.777  0.654  0.885  1.0
  Rb  Rb3  1  0.223  0.346  0.115  1.0
  Rb  Rb4  1  0.775  0.153  0.888  1.0
  Rb  Rb5  1  0.225  0.847  0.112  1.0
  Rb  Rb6  1  0.847  0.225  0.612  1.0
  Rb  Rb7  1  0.153  0.775  0.388  1.0
  Tl  Tl8  1  0.289  0.915  0.841  1.0
  Tl  Tl9  1  0.711  0.085  0.159  1.0
  Tl  Tl10  1  0.085  0.711  0.659  1.0
  Tl  Tl11  1  0.915  0.289  0.341  1.0
  Tl  Tl12  1  0.584  0.711  0.659  1.0
  Tl  Tl13  1  0.416  0.289  0.341  1.0
  Tl  Tl14  1  0.289  0.416  0.841  1.0
  Tl  Tl15  1  0.711  0.584  0.159  1.0
  S  S16  1  0.574  0.951  0.750  1.0
  S  S17  1  0.426  0.049  0.250  1.0
  S  S18  1  0.049  0.426  0.750  1.0
  S  S19  1  0.951  0.574  0.250  1.0
  S  S20  1  0.360  0.735  0.560  1.0
  S  S21  1  0.640  0.265  0.440  1.0
  S  S22  1  0.265  0.640  0.940  1.0
  S  S23  1  0.735  0.360  0.060  1.0
  S  S24  1  0.574  0.426  0.750  1.0
  S  S25  1  0.426  0.574  0.250  1.0
  S  S26  1  0.266  0.140  0.940  1.0
  S  S27  1  0.734  0.860  0.060  1.0
  S  S28  1  0.860  0.734  0.560  1.0
  S  S29  1  0.140  0.266  0.440  1.0
  S  S30  1  0.050  0.950  0.750  1.0
  S  S31  1  0.950  0.050  0.250  1.0
[/CIF]
.