data_Li2HfRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfRh
_chemical_formula_sum   'Li2 Hf1 Rh1'
_cell_volume   60.69
_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
  Li  Li1  1  0.7  0.7  0.17  1.0
  Li  Li2  1  0.7  0.7  0.1  1.0
  Hf  Hf0  1  0.0  0.0  0.64  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Li2HfRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2HfRh
_chemical_formula_sum   'Li4 Hf2 Rh2'
_cell_volume   121.37
_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
  Li  Li0  2  0.2  0.5  0.1  1.0
  Li  Li1  2  0.2  0.5  0.17  1.0
  Hf  Hf2  2  0.0  0.0  0.64  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Li Li Hf Rh
Li Li Hf Rh 0 1 o o o 0 3 + + o 1 3 + + o 2 3 o o + 
Li2HfRh crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2HfRh clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Li(2) atom. The Li(1)-Li(2) bond length is 0.37 Å. In the second Li site, Li(2) is bonded in a distorted water-like geometry to one Li(1) and one Rh(1) atom. The Li(2)-Rh(1) bond length is 1.55 Å. Hf(1) is bonded in a distorted single-bond geometry to one Rh(1) atom. The Hf(1)-Rh(1) bond length is 1.92 Å. Rh(1) is bonded in a 2-coordinate geometry to one Li(2) and one Hf(1) atom.