The structure described by GdAuAs2 crystallizes in the orthorhombic Cmce space group. Gd(1) is bonded to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted GdAs8Au4 cuboctahedra that share corners with four equivalent Gd(1)As8Au4 cuboctahedra, edges with eight equivalent Gd(1)As8Au4 cuboctahedra, edges with eight equivalent Au(1)Gd4As4Au4 cuboctahedra, faces with four equivalent Gd(1)As8Au4 cuboctahedra, and faces with four equivalent Au(1)Gd4As4Au4 cuboctahedra. Au(1) is bonded to four equivalent Gd(1), four equivalent Au(1), and four equivalent As(1) atoms to form distorted AuGd4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Gd4As4Au4 cuboctahedra, edges with eight equivalent Gd(1)As8Au4 cuboctahedra, faces with four equivalent Gd(1)As8Au4 cuboctahedra, and faces with eight equivalent Au(1)Gd4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Gd(1) and four equivalent Au(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to four equivalent Gd(1) and three equivalent As(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.047
_cell_length_b   4.047
_cell_length_c   10.252
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.861
_symmetry_Int_Tables_number   1
_cell_volume   167.874
_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
  As  As0  1  0.250  0.750  0.691  1.0
  As  As1  1  0.750  0.250  0.309  1.0
  As  As2  1  0.250  0.250  0.000  1.0
  As  As3  1  0.750  0.750  0.000  1.0
  Au  Au4  1  0.250  0.250  0.500  1.0
  Au  Au5  1  0.750  0.750  0.500  1.0
  Gd  Gd6  1  0.750  0.250  0.766  1.0
  Gd  Gd7  1  0.250  0.750  0.234  1.0
[/CIF]
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The structure described by GdAuAs2 crystallizes in the orthorhombic Cmce space group. Gd(1) is bonded to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted GdAs8Au4 cuboctahedra that share corners with four equivalent Gd(1)As8Au4 cuboctahedra, edges with eight equivalent Gd(1)As8Au4 cuboctahedra, edges with eight equivalent Au(1)Gd4As4Au4 cuboctahedra, faces with four equivalent Gd(1)As8Au4 cuboctahedra, and faces with four equivalent Au(1)Gd4As4Au4 cuboctahedra. Au(1) is bonded to four equivalent Gd(1), four equivalent Au(1), and four equivalent As(1) atoms to form distorted AuGd4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Gd4As4Au4 cuboctahedra, edges with eight equivalent Gd(1)As8Au4 cuboctahedra, faces with four equivalent Gd(1)As8Au4 cuboctahedra, and faces with eight equivalent Au(1)Gd4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Gd(1) and four equivalent Au(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to four equivalent Gd(1) and three equivalent As(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.047
_cell_length_b   4.047
_cell_length_c   10.252
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.861
_symmetry_Int_Tables_number   1
_cell_volume   167.874
_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
  As  As0  1  0.250  0.750  0.691  1.0
  As  As1  1  0.750  0.250  0.309  1.0
  As  As2  1  0.250  0.250  0.000  1.0
  As  As3  1  0.750  0.750  0.000  1.0
  Au  Au4  1  0.250  0.250  0.500  1.0
  Au  Au5  1  0.750  0.750  0.500  1.0
  Gd  Gd6  1  0.750  0.250  0.766  1.0
  Gd  Gd7  1  0.250  0.750  0.234  1.0
[/CIF]
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