The material described by PrAuAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(2)As8Au4 cuboctahedra. In the second Pr site, Pr(2) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(1)As8Au4 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(2)Pr4As4Au4 cuboctahedra. In the second Au site, Au(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(2)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(1)Pr4As4Au4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and three equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms. is represented by the CIF file [CIF]
data_PrAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.141
_cell_length_b   4.141
_cell_length_c   20.933
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   89.949
_symmetry_Int_Tables_number   1
_cell_volume   359.010
_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
  As  As0  1  0.220  0.720  1.000  1.0
  As  As1  1  0.280  0.780  0.500  1.0
  As  As2  1  0.780  0.280  0.000  1.0
  As  As3  1  0.720  0.220  0.500  1.0
  As  As4  1  0.736  0.764  0.340  1.0
  As  As5  1  0.264  0.236  0.660  1.0
  As  As6  1  0.236  0.264  0.160  1.0
  As  As7  1  0.764  0.736  0.840  1.0
  Au  Au8  1  0.269  0.731  0.750  1.0
  Au  Au9  1  0.231  0.769  0.250  1.0
  Au  Au10  1  0.731  0.269  0.250  1.0
  Au  Au11  1  0.769  0.231  0.750  1.0
  Pr  Pr12  1  0.236  0.264  0.382  1.0
  Pr  Pr13  1  0.764  0.736  0.618  1.0
  Pr  Pr14  1  0.736  0.764  0.118  1.0
  Pr  Pr15  1  0.264  0.236  0.882  1.0
[/CIF]
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The material described by PrAuAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(2)As8Au4 cuboctahedra. In the second Pr site, Pr(2) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(2), two equivalent As(3), and four equivalent As(1) atoms to form distorted PrAs8Au4 cuboctahedra that share corners with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, edges with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Au(2)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with four equivalent Pr(1)As8Au4 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(1)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(2)Pr4As4Au4 cuboctahedra. In the second Au site, Au(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(2), and two equivalent As(3) atoms to form distorted AuPr4As4Au4 cuboctahedra that share corners with four equivalent Au(2)Pr4As4Au4 cuboctahedra, edges with four equivalent Pr(1)As8Au4 cuboctahedra, edges with four equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Pr(1)As8Au4 cuboctahedra, faces with two equivalent Pr(2)As8Au4 cuboctahedra, faces with two equivalent Au(2)Pr4As4Au4 cuboctahedra, and faces with six equivalent Au(1)Pr4As4Au4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and three equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Au(1), and two equivalent Au(2) atoms. is represented by the CIF file [CIF]
data_PrAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.141
_cell_length_b   4.141
_cell_length_c   20.933
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   89.949
_symmetry_Int_Tables_number   1
_cell_volume   359.010
_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
  As  As0  1  0.220  0.720  1.000  1.0
  As  As1  1  0.280  0.780  0.500  1.0
  As  As2  1  0.780  0.280  0.000  1.0
  As  As3  1  0.720  0.220  0.500  1.0
  As  As4  1  0.736  0.764  0.340  1.0
  As  As5  1  0.264  0.236  0.660  1.0
  As  As6  1  0.236  0.264  0.160  1.0
  As  As7  1  0.764  0.736  0.840  1.0
  Au  Au8  1  0.269  0.731  0.750  1.0
  Au  Au9  1  0.231  0.769  0.250  1.0
  Au  Au10  1  0.731  0.269  0.250  1.0
  Au  Au11  1  0.769  0.231  0.750  1.0
  Pr  Pr12  1  0.236  0.264  0.382  1.0
  Pr  Pr13  1  0.764  0.736  0.618  1.0
  Pr  Pr14  1  0.736  0.764  0.118  1.0
  Pr  Pr15  1  0.264  0.236  0.882  1.0
[/CIF]
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