The crystal structure described by NdAuAs2 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted NdAs8Au4 cuboctahedra that share corners with four equivalent Nd(1)As8Au4 cuboctahedra, edges with eight equivalent Nd(1)As8Au4 cuboctahedra, edges with eight equivalent Au(1)Nd4As4Au4 cuboctahedra, faces with four equivalent Nd(1)As8Au4 cuboctahedra, and faces with four equivalent Au(1)Nd4As4Au4 cuboctahedra. Au(1) is bonded to four equivalent Nd(1), four equivalent Au(1), and four equivalent As(2) atoms to form distorted AuNd4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Nd4As4Au4 cuboctahedra, edges with eight equivalent Nd(1)As8Au4 cuboctahedra, faces with four equivalent Nd(1)As8Au4 cuboctahedra, and faces with eight equivalent Au(1)Nd4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_NdAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.075
_cell_length_b   4.119
_cell_length_c   20.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.141
_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
  Nd  Nd0  1  0.250  0.226  0.118  1.0
  Nd  Nd1  1  0.750  0.726  0.382  1.0
  Nd  Nd2  1  0.250  0.274  0.618  1.0
  Nd  Nd3  1  0.750  0.774  0.882  1.0
  As  As4  1  0.250  0.697  0.002  1.0
  As  As5  1  0.750  0.726  0.160  1.0
  As  As6  1  0.250  0.226  0.340  1.0
  As  As7  1  0.750  0.197  0.498  1.0
  As  As8  1  0.250  0.803  0.502  1.0
  As  As9  1  0.750  0.774  0.660  1.0
  As  As10  1  0.250  0.274  0.840  1.0
  As  As11  1  0.750  0.303  0.998  1.0
  Au  Au12  1  0.750  0.222  0.250  1.0
  Au  Au13  1  0.250  0.722  0.250  1.0
  Au  Au14  1  0.750  0.278  0.750  1.0
  Au  Au15  1  0.250  0.778  0.750  1.0
[/CIF]
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The crystal structure described by NdAuAs2 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted NdAs8Au4 cuboctahedra that share corners with four equivalent Nd(1)As8Au4 cuboctahedra, edges with eight equivalent Nd(1)As8Au4 cuboctahedra, edges with eight equivalent Au(1)Nd4As4Au4 cuboctahedra, faces with four equivalent Nd(1)As8Au4 cuboctahedra, and faces with four equivalent Au(1)Nd4As4Au4 cuboctahedra. Au(1) is bonded to four equivalent Nd(1), four equivalent Au(1), and four equivalent As(2) atoms to form distorted AuNd4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Nd4As4Au4 cuboctahedra, edges with eight equivalent Nd(1)As8Au4 cuboctahedra, faces with four equivalent Nd(1)As8Au4 cuboctahedra, and faces with eight equivalent Au(1)Nd4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_NdAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.075
_cell_length_b   4.119
_cell_length_c   20.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.141
_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
  Nd  Nd0  1  0.250  0.226  0.118  1.0
  Nd  Nd1  1  0.750  0.726  0.382  1.0
  Nd  Nd2  1  0.250  0.274  0.618  1.0
  Nd  Nd3  1  0.750  0.774  0.882  1.0
  As  As4  1  0.250  0.697  0.002  1.0
  As  As5  1  0.750  0.726  0.160  1.0
  As  As6  1  0.250  0.226  0.340  1.0
  As  As7  1  0.750  0.197  0.498  1.0
  As  As8  1  0.250  0.803  0.502  1.0
  As  As9  1  0.750  0.774  0.660  1.0
  As  As10  1  0.250  0.274  0.840  1.0
  As  As11  1  0.750  0.303  0.998  1.0
  Au  Au12  1  0.750  0.222  0.250  1.0
  Au  Au13  1  0.250  0.722  0.250  1.0
  Au  Au14  1  0.750  0.278  0.750  1.0
  Au  Au15  1  0.250  0.778  0.750  1.0
[/CIF]
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