The compound described by NbPd4 crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent Nb(1) and six equivalent Pd(1) atoms to form distorted NbNb6Pd6 cuboctahedra that share corners with six equivalent Nb(1)Nb6Pd6 cuboctahedra; corners with six Pd(2,2)Pd12 cuboctahedra; edges with six equivalent Nb(1)Nb6Pd6 cuboctahedra; edges with six Pd(2,2)Pd12 cuboctahedra; edges with twelve equivalent Pd(1)Nb3Pd9 cuboctahedra; faces with six equivalent Nb(1)Nb6Pd6 cuboctahedra; and faces with twelve equivalent Pd(1)Nb3Pd9 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine Pd(2,2) atoms to form PdPd12 cuboctahedra that share corners with three equivalent Nb(1)Nb6Pd6 cuboctahedra; corners with three equivalent Pd(1)Nb3Pd9 cuboctahedra; corners with six equivalent Pd(2)Pd12 cuboctahedra; edges with three equivalent Nb(1)Nb6Pd6 cuboctahedra; edges with nine equivalent Pd(1)Nb3Pd9 cuboctahedra; edges with twelve Pd(2,2)Pd12 cuboctahedra; faces with six equivalent Pd(1)Nb3Pd9 cuboctahedra; and faces with twelve Pd(2,2)Pd12 cuboctahedra. In the second Pd site, Pd(1) is bonded to three equivalent Nb(1), three equivalent Pd(2), and six equivalent Pd(1) atoms to form distorted PdNb3Pd9 cuboctahedra that share corners with three equivalent Pd(2)Pd12 cuboctahedra, corners with nine equivalent Pd(1)Nb3Pd9 cuboctahedra, edges with six equivalent Nb(1)Nb6Pd6 cuboctahedra, edges with nine equivalent Pd(1)Nb3Pd9 cuboctahedra, edges with nine equivalent Pd(2)Pd12 cuboctahedra, faces with six equivalent Nb(1)Nb6Pd6 cuboctahedra, faces with six equivalent Pd(1)Nb3Pd9 cuboctahedra, and faces with six equivalent Pd(2)Pd12 cuboctahedra. In the third Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine equivalent Pd(2) atoms to form PdPd12 cuboctahedra that share corners with three equivalent Nb(1)Nb6Pd6 cuboctahedra, corners with three equivalent Pd(1)Nb3Pd9 cuboctahedra, corners with six equivalent Pd(2)Pd12 cuboctahedra, edges with three equivalent Nb(1)Nb6Pd6 cuboctahedra, edges with nine equivalent Pd(1)Nb3Pd9 cuboctahedra, edges with twelve equivalent Pd(2)Pd12 cuboctahedra, faces with six equivalent Pd(1)Nb3Pd9 cuboctahedra, and faces with twelve equivalent Pd(2)Pd12 cuboctahedra. is represented by the CIF file [CIF]
data_NbPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.611
_cell_length_b   11.611
_cell_length_c   11.611
_cell_angle_alpha   14.025
_cell_angle_beta   14.025
_cell_angle_gamma   14.025
_symmetry_Int_Tables_number   1
_cell_volume   80.023
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.601  0.601  0.601  1.0
  Pd  Pd2  1  0.200  0.200  0.200  1.0
  Pd  Pd3  1  0.800  0.800  0.800  1.0
  Pd  Pd4  1  0.399  0.399  0.399  1.0
[/CIF]
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The compound described by NbPd4 crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent Nb(1) and six equivalent Pd(1) atoms to form distorted NbNb6Pd6 cuboctahedra that share corners with six equivalent Nb(1)Nb6Pd6 cuboctahedra; corners with six Pd(2,2)Pd12 cuboctahedra; edges with six equivalent Nb(1)Nb6Pd6 cuboctahedra; edges with six Pd(2,2)Pd12 cuboctahedra; edges with twelve equivalent Pd(1)Nb3Pd9 cuboctahedra; faces with six equivalent Nb(1)Nb6Pd6 cuboctahedra; and faces with twelve equivalent Pd(1)Nb3Pd9 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine Pd(2,2) atoms to form PdPd12 cuboctahedra that share corners with three equivalent Nb(1)Nb6Pd6 cuboctahedra; corners with three equivalent Pd(1)Nb3Pd9 cuboctahedra; corners with six equivalent Pd(2)Pd12 cuboctahedra; edges with three equivalent Nb(1)Nb6Pd6 cuboctahedra; edges with nine equivalent Pd(1)Nb3Pd9 cuboctahedra; edges with twelve Pd(2,2)Pd12 cuboctahedra; faces with six equivalent Pd(1)Nb3Pd9 cuboctahedra; and faces with twelve Pd(2,2)Pd12 cuboctahedra. In the second Pd site, Pd(1) is bonded to three equivalent Nb(1), three equivalent Pd(2), and six equivalent Pd(1) atoms to form distorted PdNb3Pd9 cuboctahedra that share corners with three equivalent Pd(2)Pd12 cuboctahedra, corners with nine equivalent Pd(1)Nb3Pd9 cuboctahedra, edges with six equivalent Nb(1)Nb6Pd6 cuboctahedra, edges with nine equivalent Pd(1)Nb3Pd9 cuboctahedra, edges with nine equivalent Pd(2)Pd12 cuboctahedra, faces with six equivalent Nb(1)Nb6Pd6 cuboctahedra, faces with six equivalent Pd(1)Nb3Pd9 cuboctahedra, and faces with six equivalent Pd(2)Pd12 cuboctahedra. In the third Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine equivalent Pd(2) atoms to form PdPd12 cuboctahedra that share corners with three equivalent Nb(1)Nb6Pd6 cuboctahedra, corners with three equivalent Pd(1)Nb3Pd9 cuboctahedra, corners with six equivalent Pd(2)Pd12 cuboctahedra, edges with three equivalent Nb(1)Nb6Pd6 cuboctahedra, edges with nine equivalent Pd(1)Nb3Pd9 cuboctahedra, edges with twelve equivalent Pd(2)Pd12 cuboctahedra, faces with six equivalent Pd(1)Nb3Pd9 cuboctahedra, and faces with twelve equivalent Pd(2)Pd12 cuboctahedra. is represented by the CIF file [CIF]
data_NbPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.611
_cell_length_b   11.611
_cell_length_c   11.611
_cell_angle_alpha   14.025
_cell_angle_beta   14.025
_cell_angle_gamma   14.025
_symmetry_Int_Tables_number   1
_cell_volume   80.023
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.601  0.601  0.601  1.0
  Pd  Pd2  1  0.200  0.200  0.200  1.0
  Pd  Pd3  1  0.800  0.800  0.800  1.0
  Pd  Pd4  1  0.399  0.399  0.399  1.0
[/CIF]
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