The material described by Zr2Au2In 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 Au(1) and four equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) and four equivalent In(1) atoms. Au(1) is bonded in a 8-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), 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 Au(1) atoms. is represented by the CIF card [CIF]
data_Zr2InAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.577
_cell_length_b   7.577
_cell_length_c   7.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.114
_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  0.148  0.148  0.000  1.0
  Zr  Zr1  1  0.852  0.852  0.000  1.0
  Zr  Zr2  1  0.648  0.352  0.500  1.0
  Zr  Zr3  1  0.352  0.648  0.500  1.0
  Zr  Zr4  1  0.696  0.304  0.000  1.0
  Zr  Zr5  1  0.304  0.696  0.000  1.0
  Zr  Zr6  1  0.804  0.804  0.500  1.0
  Zr  Zr7  1  0.196  0.196  0.500  1.0
  In  In8  1  0.500  0.000  0.250  1.0
  In  In9  1  0.500  0.000  0.750  1.0
  In  In10  1  0.000  0.500  0.250  1.0
  In  In11  1  0.000  0.500  0.750  1.0
  Au  Au12  1  0.371  0.371  0.205  1.0
  Au  Au13  1  0.629  0.629  0.795  1.0
  Au  Au14  1  0.629  0.629  0.205  1.0
  Au  Au15  1  0.871  0.129  0.705  1.0
  Au  Au16  1  0.871  0.129  0.295  1.0
  Au  Au17  1  0.371  0.371  0.795  1.0
  Au  Au18  1  0.129  0.871  0.295  1.0
  Au  Au19  1  0.129  0.871  0.705  1.0
[/CIF]
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The material described by Zr2Au2In 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 Au(1) and four equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) and four equivalent In(1) atoms. Au(1) is bonded in a 8-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), 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 Au(1) atoms. is represented by the CIF card [CIF]
data_Zr2InAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.577
_cell_length_b   7.577
_cell_length_c   7.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.114
_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  0.148  0.148  0.000  1.0
  Zr  Zr1  1  0.852  0.852  0.000  1.0
  Zr  Zr2  1  0.648  0.352  0.500  1.0
  Zr  Zr3  1  0.352  0.648  0.500  1.0
  Zr  Zr4  1  0.696  0.304  0.000  1.0
  Zr  Zr5  1  0.304  0.696  0.000  1.0
  Zr  Zr6  1  0.804  0.804  0.500  1.0
  Zr  Zr7  1  0.196  0.196  0.500  1.0
  In  In8  1  0.500  0.000  0.250  1.0
  In  In9  1  0.500  0.000  0.750  1.0
  In  In10  1  0.000  0.500  0.250  1.0
  In  In11  1  0.000  0.500  0.750  1.0
  Au  Au12  1  0.371  0.371  0.205  1.0
  Au  Au13  1  0.629  0.629  0.795  1.0
  Au  Au14  1  0.629  0.629  0.205  1.0
  Au  Au15  1  0.871  0.129  0.705  1.0
  Au  Au16  1  0.871  0.129  0.295  1.0
  Au  Au17  1  0.371  0.371  0.795  1.0
  Au  Au18  1  0.129  0.871  0.295  1.0
  Au  Au19  1  0.129  0.871  0.705  1.0
[/CIF]
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