The material structure described by BaPdSi3 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Si(1), and eight equivalent Si(2) atoms. Pd(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1), one Si(1), and four 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 four equivalent Ba(1), one Pd(1), and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1), two equivalent Pd(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSi3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.430
_cell_length_b   4.430
_cell_length_c   6.002
_cell_angle_alpha   111.658
_cell_angle_beta   111.658
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   100.479
_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
  Ba  Ba0  1  0.615  0.615  0.231  1.0
  Si  Si1  1  0.001  0.001  0.001  1.0
  Si  Si2  1  0.869  0.369  0.738  1.0
  Si  Si3  1  0.369  0.869  0.738  1.0
  Pd  Pd4  1  0.262  0.262  0.525  1.0
[/CIF]
.
The material structure described by BaPdSi3 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Si(1), and eight equivalent Si(2) atoms. Pd(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1), one Si(1), and four 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 four equivalent Ba(1), one Pd(1), and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1), two equivalent Pd(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSi3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.430
_cell_length_b   4.430
_cell_length_c   6.002
_cell_angle_alpha   111.658
_cell_angle_beta   111.658
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   100.479
_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
  Ba  Ba0  1  0.615  0.615  0.231  1.0
  Si  Si1  1  0.001  0.001  0.001  1.0
  Si  Si2  1  0.869  0.369  0.738  1.0
  Si  Si3  1  0.369  0.869  0.738  1.0
  Pd  Pd4  1  0.262  0.262  0.525  1.0
[/CIF]
.