data_KSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.31
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiPd2
_chemical_formula_sum   'K1 Si1 Pd2'
_cell_volume   95.36
_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
  K  K0  1  0.97  0.16  0.6  1.0
  Si  Si3  1  0.69  0.0  0.46  1.0
  Pd  Pd1  1  0.92  0.0  0.9  1.0
  Pd  Pd2  1  0.7  0.16  0.48  1.0

data_KSiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.31
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiPd2
_chemical_formula_sum   'K1 Si1 Pd2'
_cell_volume   95.36
_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
  K  K0  1  0.97  0.16  0.6  1.0
  Si  Si1  1  0.69  0.0  0.46  1.0
  Pd  Pd2  1  0.7  0.16  0.48  1.0
  Pd  Pd3  1  0.92  0.0  0.9  1.0

K Si Pd Pd
K Si Pd Pd 0 3 o o o 0 2 o o o 1 3 o o o 
KPd2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KPd2Si cluster. K(1) is bonded in a 1-coordinate geometry to one Pd(1) and one Pd(2) atom. The K(1)-Pd(1) bond length is 2.05 Å. The K(1)-Pd(2) bond length is 1.09 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one K(1) atom. In the second Pd site, Pd(2) is bonded in a water-like geometry to one K(1) and one Si(1) atom. The Pd(2)-Si(1) bond length is 0.68 Å. Si(1) is bonded in a distorted single-bond geometry to one Pd(2) atom.