data_YNbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   3.5
_cell_angle_alpha   106.18
_cell_angle_beta   106.18
_cell_angle_gamma   109.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbCl2
_chemical_formula_sum   'Y1 Nb1 Cl2'
_cell_volume   84.63
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.12  0.0  0.0  1.0
  Cl  Cl0  1  0.56  0.22  0.0  1.0
  Cl  Cl1  1  0.56  0.78  0.0  1.0

data_YNbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   109.72
_cell_angle_beta   106.18
_cell_angle_gamma   106.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbCl2
_chemical_formula_sum   'Y1 Nb1 Cl2'
_cell_volume   84.63
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  -0.0  0.12  0.0  1.0
  Cl  Cl2  1  -0.0  0.56  0.78  1.0
  Cl  Cl3  1  -0.0  0.56  0.22  1.0

Y Nb Cl Cl
Y Nb Cl Cl 0 1 o o o 0 3 - - o 1 2 o o o 2 3 o - o 
YNbCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YNbCl2 cluster. Y(1) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Cl(2) atom. The Y(1)-Nb(1) bond length is 0.64 Å. The Y(1)-Cl(2) bond length is 2.28 Å. Nb(1) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Cl(1) atom. The Nb(1)-Cl(1) bond length is 2.28 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Y(1) atom.