The material described by Nb8PdSi2Sb4 crystallizes in the tetragonal I-42m space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Sb(1) atoms. Pd(1) is bonded in a distorted tetrahedral geometry to four equivalent Sb(1) atoms. Si(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to eight equivalent Nb(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb8Si2Sb4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.011
_cell_length_b   7.861
_cell_length_c   7.861
_cell_angle_alpha   95.831
_cell_angle_beta   108.587
_cell_angle_gamma   71.413
_symmetry_Int_Tables_number   1
_cell_volume   278.191
_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  0.414  0.875  0.713  1.0
  Nb  Nb1  1  0.575  0.125  0.287  1.0
  Nb  Nb2  1  0.925  0.287  0.125  1.0
  Nb  Nb3  1  0.086  0.713  0.875  1.0
  Nb  Nb4  1  0.712  0.713  0.125  1.0
  Nb  Nb5  1  0.299  0.287  0.875  1.0
  Nb  Nb6  1  0.788  0.125  0.713  1.0
  Nb  Nb7  1  0.201  0.875  0.287  1.0
  Si  Si8  1  0.250  0.000  0.000  1.0
  Si  Si9  1  0.750  0.000  0.000  1.0
  Sb  Sb10  1  0.374  0.500  0.196  1.0
  Sb  Sb11  1  0.678  0.500  0.804  1.0
  Sb  Sb12  1  0.822  0.804  0.500  1.0
  Sb  Sb13  1  0.126  0.196  0.500  1.0
  Pd  Pd14  1  0.250  0.500  0.500  1.0
[/CIF]
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The material described by Nb8PdSi2Sb4 crystallizes in the tetragonal I-42m space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Sb(1) atoms. Pd(1) is bonded in a distorted tetrahedral geometry to four equivalent Sb(1) atoms. Si(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to eight equivalent Nb(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb8Si2Sb4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.011
_cell_length_b   7.861
_cell_length_c   7.861
_cell_angle_alpha   95.831
_cell_angle_beta   108.587
_cell_angle_gamma   71.413
_symmetry_Int_Tables_number   1
_cell_volume   278.191
_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  0.414  0.875  0.713  1.0
  Nb  Nb1  1  0.575  0.125  0.287  1.0
  Nb  Nb2  1  0.925  0.287  0.125  1.0
  Nb  Nb3  1  0.086  0.713  0.875  1.0
  Nb  Nb4  1  0.712  0.713  0.125  1.0
  Nb  Nb5  1  0.299  0.287  0.875  1.0
  Nb  Nb6  1  0.788  0.125  0.713  1.0
  Nb  Nb7  1  0.201  0.875  0.287  1.0
  Si  Si8  1  0.250  0.000  0.000  1.0
  Si  Si9  1  0.750  0.000  0.000  1.0
  Sb  Sb10  1  0.374  0.500  0.196  1.0
  Sb  Sb11  1  0.678  0.500  0.804  1.0
  Sb  Sb12  1  0.822  0.804  0.500  1.0
  Sb  Sb13  1  0.126  0.196  0.500  1.0
  Pd  Pd14  1  0.250  0.500  0.500  1.0
[/CIF]
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