The structure described by Zr(PdSi)3 crystallizes in the orthorhombic Cmcm space group. Zr(1) is bonded in a 10-coordinate geometry to two equivalent Pd(1) and eight equivalent Si(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to two equivalent Si(1) and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), one Pd(1), two equivalent Pd(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Pd(1) and six equivalent Pd(2) atoms. is represented by the CIF file [CIF]
data_Zr(SiPd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.099
_cell_length_b   8.099
_cell_length_c   7.132
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.492
_symmetry_Int_Tables_number   1
_cell_volume   216.066
_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
  Zr  Zr0  1  0.989  0.011  0.250  1.0
  Zr  Zr1  1  0.011  0.989  0.750  1.0
  Si  Si2  1  0.574  0.426  0.032  1.0
  Si  Si3  1  0.426  0.574  0.968  1.0
  Si  Si4  1  0.426  0.574  0.532  1.0
  Si  Si5  1  0.574  0.426  0.468  1.0
  Si  Si6  1  0.738  0.262  0.250  1.0
  Si  Si7  1  0.262  0.738  0.750  1.0
  Pd  Pd8  1  0.340  0.660  0.250  1.0
  Pd  Pd9  1  0.660  0.340  0.750  1.0
  Pd  Pd10  1  0.825  0.175  0.553  1.0
  Pd  Pd11  1  0.175  0.825  0.447  1.0
  Pd  Pd12  1  0.175  0.825  0.053  1.0
  Pd  Pd13  1  0.825  0.175  0.947  1.0
[/CIF]
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The structure described by Zr(PdSi)3 crystallizes in the orthorhombic Cmcm space group. Zr(1) is bonded in a 10-coordinate geometry to two equivalent Pd(1) and eight equivalent Si(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to two equivalent Si(1) and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), one Pd(1), two equivalent Pd(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Pd(1) and six equivalent Pd(2) atoms. is represented by the CIF file [CIF]
data_Zr(SiPd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.099
_cell_length_b   8.099
_cell_length_c   7.132
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.492
_symmetry_Int_Tables_number   1
_cell_volume   216.066
_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
  Zr  Zr0  1  0.989  0.011  0.250  1.0
  Zr  Zr1  1  0.011  0.989  0.750  1.0
  Si  Si2  1  0.574  0.426  0.032  1.0
  Si  Si3  1  0.426  0.574  0.968  1.0
  Si  Si4  1  0.426  0.574  0.532  1.0
  Si  Si5  1  0.574  0.426  0.468  1.0
  Si  Si6  1  0.738  0.262  0.250  1.0
  Si  Si7  1  0.262  0.738  0.750  1.0
  Pd  Pd8  1  0.340  0.660  0.250  1.0
  Pd  Pd9  1  0.660  0.340  0.750  1.0
  Pd  Pd10  1  0.825  0.175  0.553  1.0
  Pd  Pd11  1  0.175  0.825  0.447  1.0
  Pd  Pd12  1  0.175  0.825  0.053  1.0
  Pd  Pd13  1  0.825  0.175  0.947  1.0
[/CIF]
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