The crystal structure described by Ti2PdH2 crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Pd(1) and five equivalent H(1) atoms to form distorted TiH5Pd4 square pyramids that share corners with four equivalent Ti(1)H5Pd4 square pyramids, corners with eight equivalent H(1)Ti5Pd square pyramids, edges with twelve equivalent Ti(1)H5Pd4 square pyramids, and faces with five equivalent Ti(1)H5Pd4 square pyramids. Pd(1) is bonded in a 14-coordinate geometry to eight equivalent Ti(1), four equivalent Pd(1), and two equivalent H(1) atoms. H(1) is bonded to five equivalent Ti(1) and one Pd(1) atom to form distorted HTi5Pd square pyramids that share corners with five equivalent H(1)Ti5Pd square pyramids, corners with eight equivalent Ti(1)H5Pd4 square pyramids, and edges with eight equivalent H(1)Ti5Pd square pyramids. is represented by the CIF card [CIF]
data_Ti2H2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.584
_cell_length_b   6.584
_cell_length_c   6.584
_cell_angle_alpha   154.922
_cell_angle_beta   154.922
_cell_angle_gamma   35.761
_symmetry_Int_Tables_number   1
_cell_volume   51.221
_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
  Ti  Ti0  1  0.660  0.660  0.000  1.0
  Ti  Ti1  1  0.340  0.340  0.000  1.0
  H  H2  1  0.186  0.186  0.000  1.0
  H  H3  1  0.814  0.814  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ti2PdH2 crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Pd(1) and five equivalent H(1) atoms to form distorted TiH5Pd4 square pyramids that share corners with four equivalent Ti(1)H5Pd4 square pyramids, corners with eight equivalent H(1)Ti5Pd square pyramids, edges with twelve equivalent Ti(1)H5Pd4 square pyramids, and faces with five equivalent Ti(1)H5Pd4 square pyramids. Pd(1) is bonded in a 14-coordinate geometry to eight equivalent Ti(1), four equivalent Pd(1), and two equivalent H(1) atoms. H(1) is bonded to five equivalent Ti(1) and one Pd(1) atom to form distorted HTi5Pd square pyramids that share corners with five equivalent H(1)Ti5Pd square pyramids, corners with eight equivalent Ti(1)H5Pd4 square pyramids, and edges with eight equivalent H(1)Ti5Pd square pyramids. is represented by the CIF card [CIF]
data_Ti2H2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.584
_cell_length_b   6.584
_cell_length_c   6.584
_cell_angle_alpha   154.922
_cell_angle_beta   154.922
_cell_angle_gamma   35.761
_symmetry_Int_Tables_number   1
_cell_volume   51.221
_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
  Ti  Ti0  1  0.660  0.660  0.000  1.0
  Ti  Ti1  1  0.340  0.340  0.000  1.0
  H  H2  1  0.186  0.186  0.000  1.0
  H  H3  1  0.814  0.814  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
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