The compound described by NdPdGa3 crystallizes in the tetragonal I-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. Pd(1) is bonded to four equivalent Nd(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted PdNd4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra, corners with twelve equivalent Pd(1)Nd4Ga8 cuboctahedra, edges with two equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra, faces with four equivalent Pd(1)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Pd(1), one Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Nd(1), four equivalent Pd(1), and four equivalent Ga(1) atoms to form GaNd4Ga4Pd4 cuboctahedra that share corners with four equivalent Pd(1)Nd4Ga8 cuboctahedra, corners with twelve equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra, edges with two equivalent Pd(1)Nd4Ga8 cuboctahedra, faces with four equivalent Pd(1)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra. is represented by the CIF file [CIF]
data_NdGa3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   6.134
_cell_length_c   6.134
_cell_angle_alpha   139.907
_cell_angle_beta   139.907
_cell_angle_gamma   57.995
_symmetry_Int_Tables_number   1
_cell_volume   94.871
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.616  0.616  0.000  1.0
  Ga  Ga2  1  0.384  0.384  0.000  1.0
  Ga  Ga3  1  0.750  0.250  0.500  1.0
  Pd  Pd4  1  0.250  0.750  0.500  1.0
[/CIF]
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The compound described by NdPdGa3 crystallizes in the tetragonal I-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. Pd(1) is bonded to four equivalent Nd(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted PdNd4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra, corners with twelve equivalent Pd(1)Nd4Ga8 cuboctahedra, edges with two equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra, faces with four equivalent Pd(1)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Pd(1), one Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Nd(1), four equivalent Pd(1), and four equivalent Ga(1) atoms to form GaNd4Ga4Pd4 cuboctahedra that share corners with four equivalent Pd(1)Nd4Ga8 cuboctahedra, corners with twelve equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra, edges with two equivalent Pd(1)Nd4Ga8 cuboctahedra, faces with four equivalent Pd(1)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Nd4Ga4Pd4 cuboctahedra. is represented by the CIF file [CIF]
data_NdGa3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   6.134
_cell_length_c   6.134
_cell_angle_alpha   139.907
_cell_angle_beta   139.907
_cell_angle_gamma   57.995
_symmetry_Int_Tables_number   1
_cell_volume   94.871
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.616  0.616  0.000  1.0
  Ga  Ga2  1  0.384  0.384  0.000  1.0
  Ga  Ga3  1  0.750  0.250  0.500  1.0
  Pd  Pd4  1  0.250  0.750  0.500  1.0
[/CIF]
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