The material described by Zr2Pd2In crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) and four equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Pd(1) and four equivalent In(1) atoms. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), two equivalent Pd(1), and two equivalent In(1) atoms. In(1) is bonded in a 12-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2InPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.019
_cell_length_b   8.019
_cell_length_c   7.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.290
_cell_formula_units_Z   4
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  0.657  0.657  0.500  1.0
  Zr  Zr1  1  0.814  0.186  0.500  1.0
  Zr  Zr2  1  0.686  0.686  0.000  1.0
  Zr  Zr3  1  0.843  0.157  0.000  1.0
  Zr  Zr4  1  0.186  0.814  0.500  1.0
  Zr  Zr5  1  0.314  0.314  0.000  1.0
  Zr  Zr6  1  0.157  0.843  0.000  1.0
  Zr  Zr7  1  0.343  0.343  0.500  1.0
  In  In8  1  0.000  0.500  0.250  1.0
  In  In9  1  0.500  0.000  0.750  1.0
  In  In10  1  0.500  0.000  0.250  1.0
  In  In11  1  0.000  0.500  0.750  1.0
  Pd  Pd12  1  0.628  0.372  0.221  1.0
  Pd  Pd13  1  0.372  0.628  0.779  1.0
  Pd  Pd14  1  0.872  0.872  0.721  1.0
  Pd  Pd15  1  0.628  0.372  0.779  1.0
  Pd  Pd16  1  0.372  0.628  0.221  1.0
  Pd  Pd17  1  0.128  0.128  0.279  1.0
  Pd  Pd18  1  0.872  0.872  0.279  1.0
  Pd  Pd19  1  0.128  0.128  0.721  1.0
[/CIF]
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The material described by Zr2Pd2In crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) and four equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Pd(1) and four equivalent In(1) atoms. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), two equivalent Pd(1), and two equivalent In(1) atoms. In(1) is bonded in a 12-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2InPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.019
_cell_length_b   8.019
_cell_length_c   7.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.290
_cell_formula_units_Z   4
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  0.657  0.657  0.500  1.0
  Zr  Zr1  1  0.814  0.186  0.500  1.0
  Zr  Zr2  1  0.686  0.686  0.000  1.0
  Zr  Zr3  1  0.843  0.157  0.000  1.0
  Zr  Zr4  1  0.186  0.814  0.500  1.0
  Zr  Zr5  1  0.314  0.314  0.000  1.0
  Zr  Zr6  1  0.157  0.843  0.000  1.0
  Zr  Zr7  1  0.343  0.343  0.500  1.0
  In  In8  1  0.000  0.500  0.250  1.0
  In  In9  1  0.500  0.000  0.750  1.0
  In  In10  1  0.500  0.000  0.250  1.0
  In  In11  1  0.000  0.500  0.750  1.0
  Pd  Pd12  1  0.628  0.372  0.221  1.0
  Pd  Pd13  1  0.372  0.628  0.779  1.0
  Pd  Pd14  1  0.872  0.872  0.721  1.0
  Pd  Pd15  1  0.628  0.372  0.779  1.0
  Pd  Pd16  1  0.372  0.628  0.221  1.0
  Pd  Pd17  1  0.128  0.128  0.279  1.0
  Pd  Pd18  1  0.872  0.872  0.279  1.0
  Pd  Pd19  1  0.128  0.128  0.721  1.0
[/CIF]
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