The structure described by NbPd3 is beta Cu3Ti-like structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one Pd(4), two equivalent Pd(2), three equivalent Pd(3), and six equivalent Pd(1) atoms to form NbPd12 cuboctahedra that share  a cornercorner with one Nb(2)Pd12 cuboctahedra, corners with two equivalent Nb(1)Pd12 cuboctahedra, corners with four equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with six equivalent Pd(3)Nb4Pd8 cuboctahedra, edges with three equivalent Nb(2)Pd12 cuboctahedra, edges with four equivalent Nb(1)Pd12 cuboctahedra, edges with six equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with two equivalent Nb(2)Pd12 cuboctahedra, faces with two equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with three equivalent Nb(1)Pd12 cuboctahedra, faces with four equivalent Pd(3)Nb4Pd8 cuboctahedra, and faces with six equivalent Pd(1)Nb4Pd8 cuboctahedra. In the second Nb site, Nb(2) is bonded to two equivalent Pd(3), two equivalent Pd(4), four equivalent Pd(1), and four equivalent Pd(2) atoms to form NbPd12 cuboctahedra that share corners with two equivalent Nb(1)Pd12 cuboctahedra, corners with two equivalent Nb(2)Pd12 cuboctahedra, corners with four equivalent Pd(3)Nb4Pd8 cuboctahedra, edges with two equivalent Nb(2)Pd12 cuboctahedra, edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with six equivalent Nb(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra, and faces with four equivalent Pd(3)Nb4Pd8 cuboctahedra. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Nb(2), three equivalent Nb(1), one Pd(2), one Pd(4), three equivalent Pd(1), and three equivalent Pd(3) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with two equivalent Nb(1)Pd12 cuboctahedra, corners with two equivalent Pd(3)Nb4Pd8 cuboctahedra, corners with three equivalent Pd(2)Nb4Pd8 cuboctahedra, corners with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with three equivalent Nb(2)Pd12 cuboctahedra, edges with three equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with four equivalent Nb(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with four equivalent Pd(3)Nb4Pd8 cuboctahedra,  a faceface with one Nb(2)Pd12 cuboctahedra, faces with three equivalent Nb(1)Pd12 cuboctahedra, faces with three equivalent Pd(3)Nb4Pd8 cuboctahedra, faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra, and faces with seven equivalent Pd(1)Nb4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to two equivalent Nb(1), two equivalent Nb(2), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Pd(4) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with six equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with six equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with two equivalent Nb(2)Pd12 cuboctahedra, edges with two equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with six equivalent Nb(1)Pd12 cuboctahedra, edges with six equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with six equivalent Pd(3)Nb4Pd8 cuboctahedra, faces with two equivalent Nb(1)Pd12 cuboctahedra, faces with two equivalent Nb(2)Pd12 cuboctahedra, faces with two equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with two equivalent Pd(3)Nb4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Nb4Pd8 cuboctahedra. In the third Pd site, Pd(3) is bonded to one Nb(2), three equivalent Nb(1), two equivalent Pd(2), and six equivalent Pd(1) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with two equivalent Nb(2)Pd12 cuboctahedra, corners with two equivalent Pd(3)Nb4Pd8 cuboctahedra, corners with four equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with six equivalent Nb(1)Pd12 cuboctahedra, edges with four equivalent Pd(3)Nb4Pd8 cuboctahedra, edges with six equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with two equivalent Nb(2)Pd12 cuboctahedra, faces with two equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with three equivalent Pd(3)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Nb4Pd8 cuboctahedra. In the fourth Pd site, Pd(4) is bonded in a distorted see-saw-like geometry to two equivalent Nb(1), two equivalent Nb(2), four equivalent Pd(1), and four equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.880
_cell_length_b   5.527
_cell_length_c   13.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.073
_cell_formula_units_Z   6
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
  Nb  Nb0  1  0.664  0.750  0.086  1.0
  Nb  Nb1  1  0.336  0.250  0.914  1.0
  Nb  Nb2  1  0.988  0.250  0.250  1.0
  Nb  Nb3  1  0.336  0.250  0.586  1.0
  Nb  Nb4  1  0.664  0.750  0.414  1.0
  Nb  Nb5  1  0.012  0.750  0.750  1.0
  Pd  Pd6  1  0.163  0.001  0.083  1.0
  Pd  Pd7  1  0.837  0.999  0.583  1.0
  Pd  Pd8  1  0.163  0.001  0.417  1.0
  Pd  Pd9  1  0.511  0.998  0.750  1.0
  Pd  Pd10  1  0.489  0.002  0.250  1.0
  Pd  Pd11  1  0.163  0.499  0.083  1.0
  Pd  Pd12  1  0.837  0.999  0.917  1.0
  Pd  Pd13  1  0.340  0.750  0.916  1.0
  Pd  Pd14  1  0.163  0.499  0.417  1.0
  Pd  Pd15  1  0.660  0.250  0.416  1.0
  Pd  Pd16  1  0.489  0.498  0.250  1.0
  Pd  Pd17  1  0.837  0.501  0.917  1.0
  Pd  Pd18  1  0.978  0.750  0.250  1.0
  Pd  Pd19  1  0.340  0.750  0.584  1.0
  Pd  Pd20  1  0.837  0.501  0.583  1.0
  Pd  Pd21  1  0.660  0.250  0.084  1.0
  Pd  Pd22  1  0.022  0.250  0.750  1.0
  Pd  Pd23  1  0.511  0.502  0.750  1.0
[/CIF]
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The structure described by NbPd3 is beta Cu3Ti-like structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one Pd(4), two equivalent Pd(2), three equivalent Pd(3), and six equivalent Pd(1) atoms to form NbPd12 cuboctahedra that share  a cornercorner with one Nb(2)Pd12 cuboctahedra, corners with two equivalent Nb(1)Pd12 cuboctahedra, corners with four equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with six equivalent Pd(3)Nb4Pd8 cuboctahedra, edges with three equivalent Nb(2)Pd12 cuboctahedra, edges with four equivalent Nb(1)Pd12 cuboctahedra, edges with six equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with two equivalent Nb(2)Pd12 cuboctahedra, faces with two equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with three equivalent Nb(1)Pd12 cuboctahedra, faces with four equivalent Pd(3)Nb4Pd8 cuboctahedra, and faces with six equivalent Pd(1)Nb4Pd8 cuboctahedra. In the second Nb site, Nb(2) is bonded to two equivalent Pd(3), two equivalent Pd(4), four equivalent Pd(1), and four equivalent Pd(2) atoms to form NbPd12 cuboctahedra that share corners with two equivalent Nb(1)Pd12 cuboctahedra, corners with two equivalent Nb(2)Pd12 cuboctahedra, corners with four equivalent Pd(3)Nb4Pd8 cuboctahedra, edges with two equivalent Nb(2)Pd12 cuboctahedra, edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with six equivalent Nb(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra, and faces with four equivalent Pd(3)Nb4Pd8 cuboctahedra. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Nb(2), three equivalent Nb(1), one Pd(2), one Pd(4), three equivalent Pd(1), and three equivalent Pd(3) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with two equivalent Nb(1)Pd12 cuboctahedra, corners with two equivalent Pd(3)Nb4Pd8 cuboctahedra, corners with three equivalent Pd(2)Nb4Pd8 cuboctahedra, corners with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with three equivalent Nb(2)Pd12 cuboctahedra, edges with three equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with four equivalent Nb(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with four equivalent Pd(3)Nb4Pd8 cuboctahedra,  a faceface with one Nb(2)Pd12 cuboctahedra, faces with three equivalent Nb(1)Pd12 cuboctahedra, faces with three equivalent Pd(3)Nb4Pd8 cuboctahedra, faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra, and faces with seven equivalent Pd(1)Nb4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to two equivalent Nb(1), two equivalent Nb(2), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Pd(4) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with six equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with six equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with two equivalent Nb(2)Pd12 cuboctahedra, edges with two equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with six equivalent Nb(1)Pd12 cuboctahedra, edges with six equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with six equivalent Pd(3)Nb4Pd8 cuboctahedra, faces with two equivalent Nb(1)Pd12 cuboctahedra, faces with two equivalent Nb(2)Pd12 cuboctahedra, faces with two equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with two equivalent Pd(3)Nb4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Nb4Pd8 cuboctahedra. In the third Pd site, Pd(3) is bonded to one Nb(2), three equivalent Nb(1), two equivalent Pd(2), and six equivalent Pd(1) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with two equivalent Nb(2)Pd12 cuboctahedra, corners with two equivalent Pd(3)Nb4Pd8 cuboctahedra, corners with four equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with six equivalent Nb(1)Pd12 cuboctahedra, edges with four equivalent Pd(3)Nb4Pd8 cuboctahedra, edges with six equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with two equivalent Nb(2)Pd12 cuboctahedra, faces with two equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with three equivalent Pd(3)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Nb4Pd8 cuboctahedra. In the fourth Pd site, Pd(4) is bonded in a distorted see-saw-like geometry to two equivalent Nb(1), two equivalent Nb(2), four equivalent Pd(1), and four equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.880
_cell_length_b   5.527
_cell_length_c   13.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.073
_cell_formula_units_Z   6
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
  Nb  Nb0  1  0.664  0.750  0.086  1.0
  Nb  Nb1  1  0.336  0.250  0.914  1.0
  Nb  Nb2  1  0.988  0.250  0.250  1.0
  Nb  Nb3  1  0.336  0.250  0.586  1.0
  Nb  Nb4  1  0.664  0.750  0.414  1.0
  Nb  Nb5  1  0.012  0.750  0.750  1.0
  Pd  Pd6  1  0.163  0.001  0.083  1.0
  Pd  Pd7  1  0.837  0.999  0.583  1.0
  Pd  Pd8  1  0.163  0.001  0.417  1.0
  Pd  Pd9  1  0.511  0.998  0.750  1.0
  Pd  Pd10  1  0.489  0.002  0.250  1.0
  Pd  Pd11  1  0.163  0.499  0.083  1.0
  Pd  Pd12  1  0.837  0.999  0.917  1.0
  Pd  Pd13  1  0.340  0.750  0.916  1.0
  Pd  Pd14  1  0.163  0.499  0.417  1.0
  Pd  Pd15  1  0.660  0.250  0.416  1.0
  Pd  Pd16  1  0.489  0.498  0.250  1.0
  Pd  Pd17  1  0.837  0.501  0.917  1.0
  Pd  Pd18  1  0.978  0.750  0.250  1.0
  Pd  Pd19  1  0.340  0.750  0.584  1.0
  Pd  Pd20  1  0.837  0.501  0.583  1.0
  Pd  Pd21  1  0.660  0.250  0.084  1.0
  Pd  Pd22  1  0.022  0.250  0.750  1.0
  Pd  Pd23  1  0.511  0.502  0.750  1.0
[/CIF]
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