The crystal structure described by Zr4PdCu is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. Zr(1) is bonded in a 4-coordinate geometry to two equivalent Pd(1) and two equivalent Cu(1) atoms. Pd(1) is bonded in a distorted q6 geometry to eight equivalent Zr(1) and two equivalent Cu(1) atoms. Cu(1) is bonded in a distorted q6 geometry to eight equivalent Zr(1) and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_Zr4CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.431
_cell_length_c   5.431
_cell_angle_alpha   103.739
_cell_angle_beta   103.739
_cell_angle_gamma   121.667
_symmetry_Int_Tables_number   1
_cell_volume   119.058
_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
  Zr  Zr0  1  0.158  0.658  0.817  1.0
  Zr  Zr1  1  0.342  0.158  0.500  1.0
  Zr  Zr2  1  0.658  0.842  0.500  1.0
  Zr  Zr3  1  0.842  0.342  0.183  1.0
  Cu  Cu4  1  0.750  0.750  0.000  1.0
  Pd  Pd5  1  0.250  0.250  0.000  1.0
[/CIF]
.
The crystal structure described by Zr4PdCu is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. Zr(1) is bonded in a 4-coordinate geometry to two equivalent Pd(1) and two equivalent Cu(1) atoms. Pd(1) is bonded in a distorted q6 geometry to eight equivalent Zr(1) and two equivalent Cu(1) atoms. Cu(1) is bonded in a distorted q6 geometry to eight equivalent Zr(1) and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_Zr4CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.431
_cell_length_c   5.431
_cell_angle_alpha   103.739
_cell_angle_beta   103.739
_cell_angle_gamma   121.667
_symmetry_Int_Tables_number   1
_cell_volume   119.058
_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
  Zr  Zr0  1  0.158  0.658  0.817  1.0
  Zr  Zr1  1  0.342  0.158  0.500  1.0
  Zr  Zr2  1  0.658  0.842  0.500  1.0
  Zr  Zr3  1  0.842  0.342  0.183  1.0
  Cu  Cu4  1  0.750  0.750  0.000  1.0
  Pd  Pd5  1  0.250  0.250  0.000  1.0
[/CIF]
.