data_NaTmS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   32.51
_cell_angle_beta   32.51
_cell_angle_gamma   32.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTmS2
_chemical_formula_sum   'Na1 Tm1 S2'
_cell_volume   88.25
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tm  Tm3  1  0.0  0.0  0.94  1.0
  S  S1  1  0.0  0.0  0.81  1.0
  S  S2  1  0.0  0.0  0.08  1.0

data_NaTmS2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.79
_cell_length_b   3.92
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   108.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTmS2
_chemical_formula_sum   'Na2 Tm2 S4'
_cell_volume   176.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Tm  Tm1  2  0.0  0.0  0.06  1.0
  S  S2  2  0.0  0.0  0.19  1.0
  S  S3  2  0.0  0.0  0.92  1.0

Na Tm S S
Na Tm S S 0 1 o o - 0 3 o o o 1 2 o o o 
NaTmS2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaTmS2 clusters. Na(1) is bonded in a linear geometry to one Tm(1) and one S(2) atom. The Na(1)-Tm(1) bond length is 0.40 Å. The Na(1)-S(2) bond length is 0.55 Å. Tm(1) is bonded in a linear geometry to one Na(1) and one S(1) atom. The Tm(1)-S(1) bond length is 0.95 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one Tm(1) atom. In the second S site, S(2) is bonded in a single-bond geometry to one Na(1) atom.