data_LiSc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.36
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Rh
_chemical_formula_sum   'Li1 Sc2 Rh1'
_cell_volume   75.83
_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  Li0  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.6  0.68  0.09  1.0
  Sc  Sc3  1  0.6  0.68  0.97  1.0
  Rh  Rh1  1  0.0  0.0  0.53  1.0

data_LiSc2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.36
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Rh
_chemical_formula_sum   'Li1 Sc2 Rh1'
_cell_volume   75.83
_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  Li0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.6  0.68  0.09  1.0
  Sc  Sc2  1  0.6  0.68  0.97  1.0
  Rh  Rh3  1  0.0  0.0  0.53  1.0

Li Sc Sc Rh
Li Sc Sc Rh 0 2 - - - 0 1 - - o 0 3 o o o 0 3 o o - 1 2 o o - 1 3 + + o 1 3 o + o 2 3 + + o 2 3 o + o 3 3 + o o 3 3 o + o 
LiSc2Rh crystallizes in the triclinic P1 space group. Li(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), four equivalent Sc(2), and one Rh(1) atom. There are a spread of Li(1)-Sc(1) bond distances ranging from 1.79-3.04 Å. There are a spread of Li(1)-Sc(2) bond distances ranging from 1.69-2.98 Å. The Li(1)-Rh(1) bond length is 3.31 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to four equivalent Li(1), one Sc(2), and two equivalent Rh(1) atoms. The Sc(1)-Sc(2) bond length is 0.81 Å. There is one shorter (3.55 Å) and one longer (3.82 Å) Sc(1)-Rh(1) bond length. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to four equivalent Li(1), one Sc(1), and two equivalent Rh(1) atoms. There is one shorter (3.55 Å) and one longer (3.82 Å) Sc(2)-Rh(1) bond length. Rh(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Sc(1), two equivalent Sc(2), and four equivalent Rh(1) atoms. There are two shorter (3.20 Å) and two longer (3.36 Å) Rh(1)-Rh(1) bond lengths.