The structure described by Ti4Pd2H3 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to four equivalent Pd(2) and four equivalent H(2) atoms. In the second Ti site, Ti(2) is bonded in a linear geometry to one H(1) and one H(2) atom. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent H(1) atoms. In the second Pd site, Pd(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1), four equivalent Pd(2), and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Ti(2) and four equivalent Pd(1) atoms to form HTi2Pd4 octahedra that share corners with four equivalent H(1)Ti2Pd4 octahedra, corners with two equivalent H(2)Ti5Pd square pyramids, and edges with four equivalent H(1)Ti2Pd4 octahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to one Ti(2), four equivalent Ti(1), and one Pd(2) atom to form distorted HTi5Pd square pyramids that share  a cornercorner with one H(1)Ti2Pd4 octahedra, corners with five equivalent H(2)Ti5Pd square pyramids, and edges with four equivalent H(2)Ti5Pd square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ti4H3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.857
_cell_length_b   2.857
_cell_length_c   12.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.288
_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  0.000  0.000  0.339  1.0
  Ti  Ti1  1  0.000  0.000  0.661  1.0
  Ti  Ti2  1  0.500  0.500  0.827  1.0
  Ti  Ti3  1  0.500  0.500  0.173  1.0
  H  H4  1  0.500  0.500  0.000  1.0
  H  H5  1  0.500  0.500  0.323  1.0
  H  H6  1  0.500  0.500  0.677  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
  Pd  Pd8  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by Ti4Pd2H3 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to four equivalent Pd(2) and four equivalent H(2) atoms. In the second Ti site, Ti(2) is bonded in a linear geometry to one H(1) and one H(2) atom. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent H(1) atoms. In the second Pd site, Pd(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1), four equivalent Pd(2), and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Ti(2) and four equivalent Pd(1) atoms to form HTi2Pd4 octahedra that share corners with four equivalent H(1)Ti2Pd4 octahedra, corners with two equivalent H(2)Ti5Pd square pyramids, and edges with four equivalent H(1)Ti2Pd4 octahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to one Ti(2), four equivalent Ti(1), and one Pd(2) atom to form distorted HTi5Pd square pyramids that share  a cornercorner with one H(1)Ti2Pd4 octahedra, corners with five equivalent H(2)Ti5Pd square pyramids, and edges with four equivalent H(2)Ti5Pd square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ti4H3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.857
_cell_length_b   2.857
_cell_length_c   12.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.288
_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  0.000  0.000  0.339  1.0
  Ti  Ti1  1  0.000  0.000  0.661  1.0
  Ti  Ti2  1  0.500  0.500  0.827  1.0
  Ti  Ti3  1  0.500  0.500  0.173  1.0
  H  H4  1  0.500  0.500  0.000  1.0
  H  H5  1  0.500  0.500  0.323  1.0
  H  H6  1  0.500  0.500  0.677  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
  Pd  Pd8  1  0.500  0.500  0.500  1.0
[/CIF]
.