The compound described by Nd6Pd13Zn4 crystallizes in the cubic Im-3m space group. Nd(1) is bonded in a 13-coordinate geometry to one Pd(2), eight equivalent Pd(1), and four equivalent Zn(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in an octahedral geometry to six equivalent Nd(1) atoms. In the second Pd site, Pd(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), four equivalent Pd(1), and two equivalent Zn(1) atoms. Zn(1) is bonded in a distorted hexagonal planar geometry to six equivalent Nd(1) and six equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Nd6Zn4Pd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   8.407
_cell_length_c   8.407
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   457.481
_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  0.697  0.697  0.000  1.0
  Nd  Nd1  1  0.303  0.000  0.303  1.0
  Nd  Nd2  1  0.000  0.303  0.303  1.0
  Nd  Nd3  1  0.303  0.303  0.000  1.0
  Nd  Nd4  1  0.697  0.000  0.697  1.0
  Nd  Nd5  1  0.000  0.697  0.697  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.500  0.000  1.0
  Zn  Zn8  1  0.500  0.000  0.000  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  Pd  Pd10  1  0.331  0.331  0.662  1.0
  Pd  Pd11  1  0.669  0.000  0.331  1.0
  Pd  Pd12  1  0.000  0.669  0.331  1.0
  Pd  Pd13  1  0.669  0.331  0.000  1.0
  Pd  Pd14  1  0.331  0.662  0.331  1.0
  Pd  Pd15  1  0.000  0.331  0.669  1.0
  Pd  Pd16  1  0.331  0.669  0.000  1.0
  Pd  Pd17  1  0.331  0.000  0.669  1.0
  Pd  Pd18  1  0.662  0.331  0.331  1.0
  Pd  Pd19  1  0.669  0.669  0.338  1.0
  Pd  Pd20  1  0.669  0.338  0.669  1.0
  Pd  Pd21  1  0.338  0.669  0.669  1.0
  Pd  Pd22  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Nd6Pd13Zn4 crystallizes in the cubic Im-3m space group. Nd(1) is bonded in a 13-coordinate geometry to one Pd(2), eight equivalent Pd(1), and four equivalent Zn(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in an octahedral geometry to six equivalent Nd(1) atoms. In the second Pd site, Pd(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), four equivalent Pd(1), and two equivalent Zn(1) atoms. Zn(1) is bonded in a distorted hexagonal planar geometry to six equivalent Nd(1) and six equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Nd6Zn4Pd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   8.407
_cell_length_c   8.407
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   457.481
_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  0.697  0.697  0.000  1.0
  Nd  Nd1  1  0.303  0.000  0.303  1.0
  Nd  Nd2  1  0.000  0.303  0.303  1.0
  Nd  Nd3  1  0.303  0.303  0.000  1.0
  Nd  Nd4  1  0.697  0.000  0.697  1.0
  Nd  Nd5  1  0.000  0.697  0.697  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.500  0.000  1.0
  Zn  Zn8  1  0.500  0.000  0.000  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  Pd  Pd10  1  0.331  0.331  0.662  1.0
  Pd  Pd11  1  0.669  0.000  0.331  1.0
  Pd  Pd12  1  0.000  0.669  0.331  1.0
  Pd  Pd13  1  0.669  0.331  0.000  1.0
  Pd  Pd14  1  0.331  0.662  0.331  1.0
  Pd  Pd15  1  0.000  0.331  0.669  1.0
  Pd  Pd16  1  0.331  0.669  0.000  1.0
  Pd  Pd17  1  0.331  0.000  0.669  1.0
  Pd  Pd18  1  0.662  0.331  0.331  1.0
  Pd  Pd19  1  0.669  0.669  0.338  1.0
  Pd  Pd20  1  0.669  0.338  0.669  1.0
  Pd  Pd21  1  0.338  0.669  0.669  1.0
  Pd  Pd22  1  0.000  0.000  0.000  1.0
[/CIF]
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