data_NbRhCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   108.02
_cell_angle_beta   108.02
_cell_angle_gamma   112.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRhCl2
_chemical_formula_sum   'Nb1 Rh1 Cl2'
_cell_volume   68.12
_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
  Nb  Nb2  1  0.0  0.0  0.48  1.0
  Rh  Rh3  1  0.0  0.62  0.24  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.62  0.0  0.24  1.0

data_NbRhCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   108.02
_cell_angle_beta   108.02
_cell_angle_gamma   112.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRhCl2
_chemical_formula_sum   'Nb1 Rh1 Cl2'
_cell_volume   68.12
_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
  Nb  Nb0  1  0.48  0.48  0.48  1.0
  Rh  Rh1  1  0.24  0.62  0.24  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.62  0.24  0.24  1.0

Nb Rh Cl Cl
Nb Rh Cl Cl 0 3 - o o 0 1 o - o 0 2 o o + 0 2 o o o 1 2 o o o 1 2 o + o 2 3 - o o 2 3 o o o 
NbRhCl2 crystallizes in the triclinic P1 space group. Nb(1) is bonded to one Rh(1), one Cl(2), and two equivalent Cl(1) atoms to form distorted corner-sharing NbRhCl3 tetrahedra. The Nb(1)-Rh(1) bond length is 1.70 Å. The Nb(1)-Cl(2) bond length is 1.70 Å. There is one shorter (2.14 Å) and one longer (2.32 Å) Nb(1)-Cl(1) bond length. Rh(1) is bonded in a 5-coordinate geometry to one Nb(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. There is one shorter (2.27 Å) and one longer (2.64 Å) Rh(1)-Cl(1) bond length. Both Rh(1)-Cl(2) bond lengths are 2.64 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Nb(1) and two equivalent Rh(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Nb(1) and two equivalent Rh(1) atoms.