The structure described by Li2PdH2 crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent Pd(1) and five equivalent H(1) atoms to form distorted LiH5Pd4 square pyramids that share corners with eight equivalent H(1)Li5Pd octahedra, corners with four equivalent Li(1)H5Pd4 square pyramids, edges with twelve equivalent Li(1)H5Pd4 square pyramids, and faces with five equivalent Li(1)H5Pd4 square pyramids. The corner-sharing octahedral tilt angles range from 56-124°. Pd(1) is bonded in a 10-coordinate geometry to eight equivalent Li(1) and two equivalent H(1) atoms. H(1) is bonded to five equivalent Li(1) and one Pd(1) atom to form distorted HLi5Pd octahedra that share corners with five equivalent H(1)Li5Pd octahedra, corners with eight equivalent Li(1)H5Pd4 square pyramids, and edges with eight equivalent H(1)Li5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Li2H2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   5.563
_cell_angle_alpha   147.867
_cell_angle_beta   147.867
_cell_angle_gamma   46.081
_symmetry_Int_Tables_number   1
_cell_volume   48.523
_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  0.645  0.645  0.000  1.0
  Li  Li1  1  0.355  0.355  0.000  1.0
  H  H2  1  0.837  0.837  0.000  1.0
  H  H3  1  0.163  0.163  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Li2PdH2 crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent Pd(1) and five equivalent H(1) atoms to form distorted LiH5Pd4 square pyramids that share corners with eight equivalent H(1)Li5Pd octahedra, corners with four equivalent Li(1)H5Pd4 square pyramids, edges with twelve equivalent Li(1)H5Pd4 square pyramids, and faces with five equivalent Li(1)H5Pd4 square pyramids. The corner-sharing octahedral tilt angles range from 56-124°. Pd(1) is bonded in a 10-coordinate geometry to eight equivalent Li(1) and two equivalent H(1) atoms. H(1) is bonded to five equivalent Li(1) and one Pd(1) atom to form distorted HLi5Pd octahedra that share corners with five equivalent H(1)Li5Pd octahedra, corners with eight equivalent Li(1)H5Pd4 square pyramids, and edges with eight equivalent H(1)Li5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Li2H2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   5.563
_cell_angle_alpha   147.867
_cell_angle_beta   147.867
_cell_angle_gamma   46.081
_symmetry_Int_Tables_number   1
_cell_volume   48.523
_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  0.645  0.645  0.000  1.0
  Li  Li1  1  0.355  0.355  0.000  1.0
  H  H2  1  0.837  0.837  0.000  1.0
  H  H3  1  0.163  0.163  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
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