The material structure described by Pr5AuSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to two equivalent Au(1) and five equivalent Sn(1) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Au(1) is bonded to six equivalent Pr(1) atoms to form face-sharing AuPr6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Pr(2) and five equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Sn3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.577
_cell_length_b   9.577
_cell_length_c   6.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   549.505
_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
  Pr  Pr0  1  0.268  1.000  0.750  1.0
  Pr  Pr1  1  0.732  1.000  0.250  1.0
  Pr  Pr2  1  0.000  0.268  0.750  1.0
  Pr  Pr3  1  0.000  0.732  0.250  1.0
  Pr  Pr4  1  0.732  0.732  0.750  1.0
  Pr  Pr5  1  0.268  0.268  0.250  1.0
  Pr  Pr6  1  0.333  0.667  0.500  1.0
  Pr  Pr7  1  0.667  0.333  0.500  1.0
  Pr  Pr8  1  0.667  0.333  0.000  1.0
  Pr  Pr9  1  0.333  0.667  0.000  1.0
  Sn  Sn10  1  0.616  0.000  0.750  1.0
  Sn  Sn11  1  0.384  0.000  0.250  1.0
  Sn  Sn12  1  1.000  0.616  0.750  1.0
  Sn  Sn13  1  1.000  0.384  0.250  1.0
  Sn  Sn14  1  0.384  0.384  0.750  1.0
  Sn  Sn15  1  0.616  0.616  0.250  1.0
  Au  Au16  1  0.000  0.000  0.500  1.0
  Au  Au17  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Pr5AuSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to two equivalent Au(1) and five equivalent Sn(1) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Au(1) is bonded to six equivalent Pr(1) atoms to form face-sharing AuPr6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Pr(2) and five equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Sn3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.577
_cell_length_b   9.577
_cell_length_c   6.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   549.505
_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
  Pr  Pr0  1  0.268  1.000  0.750  1.0
  Pr  Pr1  1  0.732  1.000  0.250  1.0
  Pr  Pr2  1  0.000  0.268  0.750  1.0
  Pr  Pr3  1  0.000  0.732  0.250  1.0
  Pr  Pr4  1  0.732  0.732  0.750  1.0
  Pr  Pr5  1  0.268  0.268  0.250  1.0
  Pr  Pr6  1  0.333  0.667  0.500  1.0
  Pr  Pr7  1  0.667  0.333  0.500  1.0
  Pr  Pr8  1  0.667  0.333  0.000  1.0
  Pr  Pr9  1  0.333  0.667  0.000  1.0
  Sn  Sn10  1  0.616  0.000  0.750  1.0
  Sn  Sn11  1  0.384  0.000  0.250  1.0
  Sn  Sn12  1  1.000  0.616  0.750  1.0
  Sn  Sn13  1  1.000  0.384  0.250  1.0
  Sn  Sn14  1  0.384  0.384  0.750  1.0
  Sn  Sn15  1  0.616  0.616  0.250  1.0
  Au  Au16  1  0.000  0.000  0.500  1.0
  Au  Au17  1  0.000  0.000  0.000  1.0
[/CIF]
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