data_TmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAl2
_chemical_formula_sum   'Tm2 Al4'
_cell_volume   180.99
_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
  Tm  Tm4  1  0.0  0.0  0.0  1.0
  Tm  Tm5  1  0.87  0.87  0.75  1.0
  Al  Al0  1  0.99  0.99  0.0  1.0
  Al  Al1  1  0.74  0.74  0.0  1.0
  Al  Al2  1  0.86  0.88  0.75  1.0
  Al  Al3  1  0.88  0.86  0.75  1.0

data_TmAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TmAl2
_chemical_formula_sum   'Tm4 Al8'
_cell_volume   361.98
_cell_formula_units_Z   4
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
  Tm  Tm0  2  0.0  0.0  0.0  1.0
  Tm  Tm1  2  0.37  0.5  0.75  1.0
  Al  Al2  4  0.37  0.49  0.75  1.0
  Al  Al3  2  0.24  0.5  0.0  1.0
  Al  Al4  2  0.49  0.5  0.0  1.0

Tm Tm Al Al Al Al
Tm Tm Al Al Al Al 0 2 - - o 1 4 o o o 1 5 o o o 1 3 o o + 2 3 o o o 3 5 o o - 3 4 o o - 
TmAl2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TmAl2 clusters. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a single-bond geometry to one Al(1) atom. The Tm(1)-Al(1) bond length is 0.07 Å. In the second Tm site, Tm(2) is bonded in a linear geometry to two equivalent Al(3) atoms. Both Tm(2)-Al(3) bond lengths are 0.07 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Tm(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 2.01 Å. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Al(1) and two equivalent Al(3) atoms. Both Al(2)-Al(3) bond lengths are 1.70 Å. In the third Al site, Al(3) is bonded in a single-bond geometry to one Tm(2) and one Al(2) atom.