data_Ti2AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.96
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlRh
_chemical_formula_sum   'Ti2 Al1 Rh1'
_cell_volume   61.72
_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
  Ti  Ti2  1  0.87  0.0  0.09  1.0
  Ti  Ti3  1  0.0  0.98  0.09  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.87  0.98  0.0  1.0

data_Ti2AlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.96
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlRh
_chemical_formula_sum   'Ti2 Al1 Rh1'
_cell_volume   61.72
_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
  Ti  Ti0  1  0.0  0.98  0.09  1.0
  Ti  Ti1  1  0.87  0.0  0.09  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.87  0.98  -0.0  1.0

Ti Ti Al Rh
Ti2RhAl is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2RhAl cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Rh(1) atom. The Ti(1)-Rh(1) bond length is 0.38 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Al(1) atom. The Ti(2)-Al(1) bond length is 0.38 Å. Rh(1) is bonded in a distorted L-shaped geometry to one Ti(1) and one Al(1) atom. The Rh(1)-Al(1) bond length is 0.50 Å. Al(1) is bonded in an L-shaped geometry to one Ti(2) and one Rh(1) atom.