data_YVPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YVPd2
_chemical_formula_sum   'Y1 V1 Pd2'
_cell_volume   67.59
_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  0.86  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.88  0.0  0.95  1.0
  Pd  Pd1  1  0.88  0.0  0.77  1.0

data_YVPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YVPd2
_chemical_formula_sum   'Y1 V1 Pd2'
_cell_volume   67.59
_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  0.86  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.88  0.0  0.77  1.0
  Pd  Pd3  1  0.88  0.0  0.95  1.0

Y V Pd Pd
Y V Pd Pd 0 3 - o o 0 2 - o o 1 2 - o - 
YVPd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YVPd2 cluster. Y(1) is bonded in a bent 120 degrees geometry to one Pd(1) and one Pd(2) atom. The Y(1)-Pd(1) bond length is 0.78 Å. The Y(1)-Pd(2) bond length is 0.78 Å. V(1) is bonded in a single-bond geometry to one Pd(1) atom. The V(1)-Pd(1) bond length is 0.51 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a water-like geometry to one Y(1) and one V(1) atom. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Y(1) atom.