The material described by NaPd3Si2 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 10-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Na(1), one Na(2), two equivalent Pd(2), four equivalent Pd(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Pd(2), four equivalent Pd(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_NaSi2Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   6.666
_cell_length_c   6.666
_cell_angle_alpha   63.892
_cell_angle_beta   64.646
_cell_angle_gamma   64.646
_symmetry_Int_Tables_number   1
_cell_volume   196.647
_cell_formula_units_Z   2
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
  Na  Na0  1  0.955  0.000  0.000  1.0
  Na  Na1  1  0.018  0.500  0.500  1.0
  Si  Si2  1  0.383  0.690  0.690  1.0
  Si  Si3  1  0.283  0.156  0.156  1.0
  Si  Si4  1  0.763  0.310  0.310  1.0
  Si  Si5  1  0.595  0.844  0.844  1.0
  Pd  Pd6  1  0.495  0.050  0.451  1.0
  Pd  Pd7  1  0.495  0.451  0.050  1.0
  Pd  Pd8  1  0.997  0.950  0.549  1.0
  Pd  Pd9  1  0.502  0.283  0.717  1.0
  Pd  Pd10  1  0.502  0.717  0.283  1.0
  Pd  Pd11  1  0.997  0.549  0.950  1.0
[/CIF]
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The material described by NaPd3Si2 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 10-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Na(1), one Na(2), two equivalent Pd(2), four equivalent Pd(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Pd(2), four equivalent Pd(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_NaSi2Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   6.666
_cell_length_c   6.666
_cell_angle_alpha   63.892
_cell_angle_beta   64.646
_cell_angle_gamma   64.646
_symmetry_Int_Tables_number   1
_cell_volume   196.647
_cell_formula_units_Z   2
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
  Na  Na0  1  0.955  0.000  0.000  1.0
  Na  Na1  1  0.018  0.500  0.500  1.0
  Si  Si2  1  0.383  0.690  0.690  1.0
  Si  Si3  1  0.283  0.156  0.156  1.0
  Si  Si4  1  0.763  0.310  0.310  1.0
  Si  Si5  1  0.595  0.844  0.844  1.0
  Pd  Pd6  1  0.495  0.050  0.451  1.0
  Pd  Pd7  1  0.495  0.451  0.050  1.0
  Pd  Pd8  1  0.997  0.950  0.549  1.0
  Pd  Pd9  1  0.502  0.283  0.717  1.0
  Pd  Pd10  1  0.502  0.717  0.283  1.0
  Pd  Pd11  1  0.997  0.549  0.950  1.0
[/CIF]
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