The crystal structure described by Pd3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form TiPd12 cuboctahedra that share corners with six equivalent Ti(1)Pd12 cuboctahedra, corners with twelve equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with six equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with two equivalent Ti(1)Pd12 cuboctahedra, faces with six equivalent Ti(2)Pd12 cuboctahedra, faces with six equivalent Pd(1)Ti4Pd8 cuboctahedra, and faces with six equivalent Pd(2)Ti4Pd8 cuboctahedra. In the second Ti site, Ti(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form TiPd12 cuboctahedra that share corners with twelve equivalent Ti(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with six equivalent Ti(1)Pd12 cuboctahedra, faces with six equivalent Pd(1)Ti4Pd8 cuboctahedra, and faces with six equivalent Pd(2)Ti4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded to two equivalent Ti(1), two equivalent Ti(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTi4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Ti4Pd8 cuboctahedra, edges with four equivalent Ti(1)Pd12 cuboctahedra, edges with four equivalent Ti(2)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with two equivalent Ti(1)Pd12 cuboctahedra, faces with two equivalent Ti(2)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ti4Pd8 cuboctahedra, and faces with ten equivalent Pd(1)Ti4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTi4Pd8 cuboctahedra that share corners with four equivalent Ti(1)Pd12 cuboctahedra, corners with fourteen equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with two equivalent Ti(1)Pd12 cuboctahedra, edges with four equivalent Ti(2)Pd12 cuboctahedra, edges with four equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with two equivalent Ti(1)Pd12 cuboctahedra, faces with two equivalent Ti(2)Pd12 cuboctahedra, faces with six equivalent Pd(1)Ti4Pd8 cuboctahedra, and faces with ten equivalent Pd(2)Ti4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_TiPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   8.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   236.743
_cell_formula_units_Z   4
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  1.000  0.000  0.500  1.0
  Ti  Ti1  1  1.000  0.000  1.000  1.0
  Ti  Ti2  1  0.667  0.333  0.750  1.0
  Ti  Ti3  1  0.333  0.667  0.250  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  Pd  Pd6  1  1.000  0.500  0.500  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  Pd  Pd8  1  0.500  0.500  0.000  1.0
  Pd  Pd9  1  1.000  0.500  0.000  1.0
  Pd  Pd10  1  0.167  0.333  0.750  1.0
  Pd  Pd11  1  0.167  0.833  0.750  1.0
  Pd  Pd12  1  0.667  0.833  0.750  1.0
  Pd  Pd13  1  0.833  0.667  0.250  1.0
  Pd  Pd14  1  0.833  0.167  0.250  1.0
  Pd  Pd15  1  0.333  0.167  0.250  1.0
[/CIF]
.
The crystal structure described by Pd3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form TiPd12 cuboctahedra that share corners with six equivalent Ti(1)Pd12 cuboctahedra, corners with twelve equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with six equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with two equivalent Ti(1)Pd12 cuboctahedra, faces with six equivalent Ti(2)Pd12 cuboctahedra, faces with six equivalent Pd(1)Ti4Pd8 cuboctahedra, and faces with six equivalent Pd(2)Ti4Pd8 cuboctahedra. In the second Ti site, Ti(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form TiPd12 cuboctahedra that share corners with twelve equivalent Ti(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with six equivalent Ti(1)Pd12 cuboctahedra, faces with six equivalent Pd(1)Ti4Pd8 cuboctahedra, and faces with six equivalent Pd(2)Ti4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded to two equivalent Ti(1), two equivalent Ti(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTi4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Ti4Pd8 cuboctahedra, edges with four equivalent Ti(1)Pd12 cuboctahedra, edges with four equivalent Ti(2)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with two equivalent Ti(1)Pd12 cuboctahedra, faces with two equivalent Ti(2)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ti4Pd8 cuboctahedra, and faces with ten equivalent Pd(1)Ti4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTi4Pd8 cuboctahedra that share corners with four equivalent Ti(1)Pd12 cuboctahedra, corners with fourteen equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with two equivalent Ti(1)Pd12 cuboctahedra, edges with four equivalent Ti(2)Pd12 cuboctahedra, edges with four equivalent Pd(1)Ti4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Ti4Pd8 cuboctahedra, faces with two equivalent Ti(1)Pd12 cuboctahedra, faces with two equivalent Ti(2)Pd12 cuboctahedra, faces with six equivalent Pd(1)Ti4Pd8 cuboctahedra, and faces with ten equivalent Pd(2)Ti4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_TiPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   8.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   236.743
_cell_formula_units_Z   4
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  1.000  0.000  0.500  1.0
  Ti  Ti1  1  1.000  0.000  1.000  1.0
  Ti  Ti2  1  0.667  0.333  0.750  1.0
  Ti  Ti3  1  0.333  0.667  0.250  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  Pd  Pd6  1  1.000  0.500  0.500  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  Pd  Pd8  1  0.500  0.500  0.000  1.0
  Pd  Pd9  1  1.000  0.500  0.000  1.0
  Pd  Pd10  1  0.167  0.333  0.750  1.0
  Pd  Pd11  1  0.167  0.833  0.750  1.0
  Pd  Pd12  1  0.667  0.833  0.750  1.0
  Pd  Pd13  1  0.833  0.667  0.250  1.0
  Pd  Pd14  1  0.833  0.167  0.250  1.0
  Pd  Pd15  1  0.333  0.167  0.250  1.0
[/CIF]
.