The material structure described by NbPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Nb(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form NbPd12 cuboctahedra that share corners with four equivalent Nb(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with eight equivalent Nb(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, faces with six equivalent Pd(1)Nb4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Nb4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Nb(1) and eight equivalent Pd(2) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with eight equivalent Nb(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with sixteen equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with four equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with six equivalent Nb(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Nb4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Nb(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with eight equivalent Nb(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Nb4Pd8 cuboctahedra, and faces with ten equivalent Pd(2)Nb4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_NbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.917
_cell_length_b   3.917
_cell_length_c   4.880
_cell_angle_alpha   113.659
_cell_angle_beta   113.659
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.634
_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  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.750  0.250  0.500  1.0
[/CIF]
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The material structure described by NbPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Nb(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form NbPd12 cuboctahedra that share corners with four equivalent Nb(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with eight equivalent Nb(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, faces with six equivalent Pd(1)Nb4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Nb4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Nb(1) and eight equivalent Pd(2) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Nb4Pd8 cuboctahedra, corners with eight equivalent Nb(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with sixteen equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with four equivalent Pd(1)Nb4Pd8 cuboctahedra, faces with six equivalent Nb(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Nb4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Nb(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Nb4Pd8 cuboctahedra, edges with eight equivalent Nb(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Nb4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Nb4Pd8 cuboctahedra, faces with four equivalent Nb(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Nb4Pd8 cuboctahedra, and faces with ten equivalent Pd(2)Nb4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_NbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.917
_cell_length_b   3.917
_cell_length_c   4.880
_cell_angle_alpha   113.659
_cell_angle_beta   113.659
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.634
_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  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.750  0.250  0.500  1.0
[/CIF]
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