data_RbTmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25
_cell_length_b   4.32
_cell_length_c   17.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbTmI3
_chemical_formula_sum   'Rb4 Tm4 I12'
_cell_volume   795.51
_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  0.4  0.08  0.08  1.0
  Rb  Rb1  1  0.84  0.24  0.89  1.0
  Rb  Rb2  1  0.72  0.24  0.1  1.0
  Rb  Rb3  1  0.52  0.08  0.87  1.0
  Tm  Tm4  1  0.25  0.08  0.22  1.0
  Tm  Tm5  1  1.0  0.24  0.75  1.0
  Tm  Tm6  1  0.87  0.24  0.2  1.0
  Tm  Tm7  1  0.37  0.08  0.77  1.0
  I  I8  1  0.48  0.08  0.21  1.0
  I  I9  1  0.77  0.24  0.76  1.0
  I  I10  1  0.64  0.24  0.22  1.0
  I  I11  1  0.6  0.08  0.74  1.0
  I  I12  1  0.8  0.08  0.05  1.0
  I  I13  1  0.45  0.24  0.92  1.0
  I  I14  1  0.32  0.24  0.03  1.0
  I  I15  1  0.92  0.08  0.93  1.0
  I  I16  1  0.77  0.08  0.5  1.0
  I  I17  1  0.48  0.24  0.47  1.0
  I  I18  1  0.35  0.24  0.48  1.0
  I  I19  1  0.89  0.08  0.49  1.0

data_RbTmI3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.32
_cell_length_b   10.25
_cell_length_c   17.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbTmI3
_chemical_formula_sum   'Rb4 Tm4 I12'
_cell_volume   795.51
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.42  0.78  0.1  1.0
  Rb  Rb1  2  0.42  0.9  0.89  1.0
  Tm  Tm2  2  0.42  0.63  0.23  1.0
  Tm  Tm3  2  0.42  0.75  0.78  1.0
  I  I4  2  0.42  0.15  0.51  1.0
  I  I5  2  0.42  0.18  0.07  1.0
  I  I6  2  0.42  0.27  0.5  1.0
  I  I7  2  0.42  0.3  0.95  1.0
  I  I8  2  0.42  0.86  0.22  1.0
  I  I9  2  0.42  0.98  0.76  1.0

Rb Rb Rb Rb Tm Tm Tm Tm I I I I I I I I I I I I
RbTmI2I crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one molecular iodine molecule and two RbTmI2 clusters. In each RbTmI2 cluster, there are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted single-bond geometry to one I(1) and one I(4) atom. The Rb(1)-I(1) bond length is 2.39 Å. The Rb(1)-I(4) bond length is 1.37 Å. In the second Rb site, Rb(2) is bonded in a distorted single-bond geometry to one Tm(2), one I(2), and one I(3) atom. The Rb(2)-Tm(2) bond length is 2.39 Å. The Rb(2)-I(2) bond length is 2.39 Å. The Rb(2)-I(3) bond length is 1.37 Å. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a distorted single-bond geometry to one I(1) atom. The Tm(1)-I(1) bond length is 2.34 Å. In the second Tm site, Tm(2) is bonded in a 2-coordinate geometry to one Rb(2) and one I(2) atom. The Tm(2)-I(2) bond length is 2.38 Å. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to one Rb(1), one Tm(1), and one I(2) atom. The I(1)-I(2) bond length is 1.86 Å. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Rb(2), one Tm(2), and one I(1) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Rb(2) atom. In the fourth I site, I(4) is bonded in a single-bond geometry to one Rb(1) atom.