data_TiRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   131.36
_cell_angle_beta   131.36
_cell_angle_gamma   71.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRh3
_chemical_formula_sum   'Ti1 Rh3'
_cell_volume   57.73
_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  Ti3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.94  0.0  0.92  1.0
  Rh  Rh1  1  0.0  0.94  0.92  1.0
  Rh  Rh2  1  0.0  0.0  0.83  1.0

data_TiRh3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   125.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiRh3
_chemical_formula_sum   'Ti2 Rh6'
_cell_volume   115.45
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  4  0.03  0.97  0.97  1.0
  Rh  Rh2  2  0.0  0.0  0.83  1.0

Ti Rh Rh Rh
Ti Rh Rh Rh 0 1 - o - 0 2 o - - 1 2 + - o 1 3 + o o 2 3 o + o 
Rh3Ti is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Rh3Ti clusters. Ti(1) is bonded in a 2-coordinate geometry to two equivalent Rh(1) atoms. Both Ti(1)-Rh(1) bond lengths are 0.30 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 1-coordinate geometry to one Ti(1) and one Rh(2) atom. The Rh(1)-Rh(2) bond length is 0.62 Å. In the second Rh site, Rh(2) is bonded in a 2-coordinate geometry to two equivalent Rh(1) atoms.