The material structure described by Pr2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 16-coordinate geometry to two equivalent Au(2), four equivalent Au(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(4), and four equivalent Ga(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1), one Ga(3), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Au site, Au(2) is bonded to four equivalent Pr(1), four equivalent Ga(3), and four equivalent Ga(4) atoms to form distorted AuPr4Ga8 cuboctahedra that share corners with four equivalent Au(2)Pr4Ga8 cuboctahedra, corners with four equivalent Ga(1)Pr4Au4 tetrahedra, corners with eight equivalent Ga(2)Pr4Au4 tetrahedra, edges with two equivalent Ga(1)Pr4Au4 tetrahedra, faces with four equivalent Au(2)Pr4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Pr(1) and four equivalent Au(1) atoms to form distorted GaPr4Au4 tetrahedra that share corners with four equivalent Au(2)Pr4Ga8 cuboctahedra, corners with eight equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, edges with two equivalent Au(2)Pr4Ga8 cuboctahedra, edges with four equivalent Ga(1)Pr4Au4 tetrahedra, and faces with four equivalent Ga(2)Pr4Au4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Pr(1) and four equivalent Au(1) atoms to form distorted GaPr4Au4 tetrahedra that share corners with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, corners with eight equivalent Au(2)Pr4Ga8 cuboctahedra, edges with two equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, edges with four equivalent Ga(2)Pr4Au4 tetrahedra, and faces with four equivalent Ga(1)Pr4Au4 tetrahedra. In the third Ga site, Ga(3) is bonded in a distorted trigonal planar geometry to four equivalent Pr(1), one Au(1), two equivalent Au(2), and two equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded to four equivalent Pr(1), four equivalent Au(2), and four equivalent Ga(3) atoms to form GaPr4Ga4Au4 cuboctahedra that share corners with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, corners with four equivalent Ga(2)Pr4Au4 tetrahedra, corners with eight equivalent Ga(1)Pr4Au4 tetrahedra, edges with two equivalent Ga(2)Pr4Au4 tetrahedra, faces with four equivalent Au(2)Pr4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra. is represented by the CIF file [CIF]
data_Pr2Ga5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.381
_cell_length_b   4.381
_cell_length_c   10.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.324
_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
  Pr  Pr0  1  0.000  0.500  0.251  1.0
  Pr  Pr1  1  0.500  0.000  0.749  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.000  0.500  0.635  1.0
  Ga  Ga5  1  0.500  0.000  0.365  1.0
  Ga  Ga6  1  0.000  0.000  0.500  1.0
  Au  Au7  1  0.000  0.500  0.871  1.0
  Au  Au8  1  0.500  0.000  0.129  1.0
  Au  Au9  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Pr2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 16-coordinate geometry to two equivalent Au(2), four equivalent Au(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(4), and four equivalent Ga(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1), one Ga(3), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Au site, Au(2) is bonded to four equivalent Pr(1), four equivalent Ga(3), and four equivalent Ga(4) atoms to form distorted AuPr4Ga8 cuboctahedra that share corners with four equivalent Au(2)Pr4Ga8 cuboctahedra, corners with four equivalent Ga(1)Pr4Au4 tetrahedra, corners with eight equivalent Ga(2)Pr4Au4 tetrahedra, edges with two equivalent Ga(1)Pr4Au4 tetrahedra, faces with four equivalent Au(2)Pr4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Pr(1) and four equivalent Au(1) atoms to form distorted GaPr4Au4 tetrahedra that share corners with four equivalent Au(2)Pr4Ga8 cuboctahedra, corners with eight equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, edges with two equivalent Au(2)Pr4Ga8 cuboctahedra, edges with four equivalent Ga(1)Pr4Au4 tetrahedra, and faces with four equivalent Ga(2)Pr4Au4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Pr(1) and four equivalent Au(1) atoms to form distorted GaPr4Au4 tetrahedra that share corners with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, corners with eight equivalent Au(2)Pr4Ga8 cuboctahedra, edges with two equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, edges with four equivalent Ga(2)Pr4Au4 tetrahedra, and faces with four equivalent Ga(1)Pr4Au4 tetrahedra. In the third Ga site, Ga(3) is bonded in a distorted trigonal planar geometry to four equivalent Pr(1), one Au(1), two equivalent Au(2), and two equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded to four equivalent Pr(1), four equivalent Au(2), and four equivalent Ga(3) atoms to form GaPr4Ga4Au4 cuboctahedra that share corners with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra, corners with four equivalent Ga(2)Pr4Au4 tetrahedra, corners with eight equivalent Ga(1)Pr4Au4 tetrahedra, edges with two equivalent Ga(2)Pr4Au4 tetrahedra, faces with four equivalent Au(2)Pr4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Pr4Ga4Au4 cuboctahedra. is represented by the CIF file [CIF]
data_Pr2Ga5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.381
_cell_length_b   4.381
_cell_length_c   10.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.324
_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
  Pr  Pr0  1  0.000  0.500  0.251  1.0
  Pr  Pr1  1  0.500  0.000  0.749  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.000  0.500  0.635  1.0
  Ga  Ga5  1  0.500  0.000  0.365  1.0
  Ga  Ga6  1  0.000  0.000  0.500  1.0
  Au  Au7  1  0.000  0.500  0.871  1.0
  Au  Au8  1  0.500  0.000  0.129  1.0
  Au  Au9  1  0.500  0.500  0.500  1.0
[/CIF]
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