The crystal structure described by Zr5AgIn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Ag(1) and five equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(2) and six equivalent In(1) atoms. Ag(1) is bonded to six equivalent Zr(1) atoms to form distorted face-sharing AgZr6 octahedra. In(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr5In3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   8.757
_cell_length_c   5.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   396.749
_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  0.707  0.707  0.750  1.0
  Zr  Zr1  1  0.293  1.000  0.750  1.0
  Zr  Zr2  1  0.000  0.293  0.750  1.0
  Zr  Zr3  1  0.293  0.293  0.250  1.0
  Zr  Zr4  1  0.707  1.000  0.250  1.0
  Zr  Zr5  1  0.000  0.707  0.250  1.0
  Zr  Zr6  1  0.667  0.333  0.000  1.0
  Zr  Zr7  1  0.333  0.667  0.000  1.0
  Zr  Zr8  1  0.333  0.667  0.500  1.0
  Zr  Zr9  1  0.667  0.333  0.500  1.0
  In  In10  1  0.368  0.368  0.750  1.0
  In  In11  1  0.632  0.000  0.750  1.0
  In  In12  1  1.000  0.632  0.750  1.0
  In  In13  1  0.632  0.632  0.250  1.0
  In  In14  1  0.368  0.000  0.250  1.0
  In  In15  1  1.000  0.368  0.250  1.0
  Ag  Ag16  1  0.000  0.000  0.000  1.0
  Ag  Ag17  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Zr5AgIn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Ag(1) and five equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(2) and six equivalent In(1) atoms. Ag(1) is bonded to six equivalent Zr(1) atoms to form distorted face-sharing AgZr6 octahedra. In(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr5In3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   8.757
_cell_length_c   5.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   396.749
_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  0.707  0.707  0.750  1.0
  Zr  Zr1  1  0.293  1.000  0.750  1.0
  Zr  Zr2  1  0.000  0.293  0.750  1.0
  Zr  Zr3  1  0.293  0.293  0.250  1.0
  Zr  Zr4  1  0.707  1.000  0.250  1.0
  Zr  Zr5  1  0.000  0.707  0.250  1.0
  Zr  Zr6  1  0.667  0.333  0.000  1.0
  Zr  Zr7  1  0.333  0.667  0.000  1.0
  Zr  Zr8  1  0.333  0.667  0.500  1.0
  Zr  Zr9  1  0.667  0.333  0.500  1.0
  In  In10  1  0.368  0.368  0.750  1.0
  In  In11  1  0.632  0.000  0.750  1.0
  In  In12  1  1.000  0.632  0.750  1.0
  In  In13  1  0.632  0.632  0.250  1.0
  In  In14  1  0.368  0.000  0.250  1.0
  In  In15  1  1.000  0.368  0.250  1.0
  Ag  Ag16  1  0.000  0.000  0.000  1.0
  Ag  Ag17  1  0.000  0.000  0.500  1.0
[/CIF]
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