The structure described by Ti2PdNi crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. Pd(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted PdTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra. Ni(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted NiTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra. is represented by the CIF card [CIF]
data_Ti2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.774
_cell_length_b   4.454
_cell_length_c   4.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.009
_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  0.500  0.793  1.0
  Ti  Ti1  1  0.000  0.000  0.211  1.0
  Ni  Ni2  1  0.500  0.500  0.309  1.0
  Pd  Pd3  1  0.500  0.000  0.687  1.0
[/CIF]
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The structure described by Ti2PdNi crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. Pd(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted PdTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra. Ni(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted NiTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra. is represented by the CIF card [CIF]
data_Ti2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.774
_cell_length_b   4.454
_cell_length_c   4.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.009
_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  0.500  0.793  1.0
  Ti  Ti1  1  0.000  0.000  0.211  1.0
  Ni  Ni2  1  0.500  0.500  0.309  1.0
  Pd  Pd3  1  0.500  0.000  0.687  1.0
[/CIF]
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