The material described by UAuSb2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded to four equivalent Au(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form USb8Au4 cuboctahedra that share corners with four equivalent U(1)Sb8Au4 cuboctahedra, edges with eight equivalent U(1)Sb8Au4 cuboctahedra, edges with eight equivalent Au(1)U4Sb4Au4 cuboctahedra, faces with four equivalent U(1)Sb8Au4 cuboctahedra, and faces with four equivalent Au(1)U4Sb4Au4 cuboctahedra. Au(1) is bonded to four equivalent U(1), four equivalent Au(1), and four equivalent Sb(1) atoms to form distorted AuU4Sb4Au4 cuboctahedra that share corners with four equivalent Au(1)U4Sb4Au4 cuboctahedra, edges with eight equivalent U(1)Sb8Au4 cuboctahedra, faces with four equivalent U(1)Sb8Au4 cuboctahedra, and faces with eight equivalent Au(1)U4Sb4Au4 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_USb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.400
_cell_length_b   4.400
_cell_length_c   10.078
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.133
_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
  U  U0  1  0.250  0.250  0.245  1.0
  U  U1  1  0.750  0.750  0.755  1.0
  Sb  Sb2  1  0.250  0.250  0.686  1.0
  Sb  Sb3  1  0.750  0.750  0.314  1.0
  Sb  Sb4  1  0.750  0.250  0.000  1.0
  Sb  Sb5  1  0.250  0.750  0.000  1.0
  Au  Au6  1  0.750  0.250  0.500  1.0
  Au  Au7  1  0.250  0.750  0.500  1.0
[/CIF]
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The material described by UAuSb2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded to four equivalent Au(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form USb8Au4 cuboctahedra that share corners with four equivalent U(1)Sb8Au4 cuboctahedra, edges with eight equivalent U(1)Sb8Au4 cuboctahedra, edges with eight equivalent Au(1)U4Sb4Au4 cuboctahedra, faces with four equivalent U(1)Sb8Au4 cuboctahedra, and faces with four equivalent Au(1)U4Sb4Au4 cuboctahedra. Au(1) is bonded to four equivalent U(1), four equivalent Au(1), and four equivalent Sb(1) atoms to form distorted AuU4Sb4Au4 cuboctahedra that share corners with four equivalent Au(1)U4Sb4Au4 cuboctahedra, edges with eight equivalent U(1)Sb8Au4 cuboctahedra, faces with four equivalent U(1)Sb8Au4 cuboctahedra, and faces with eight equivalent Au(1)U4Sb4Au4 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_USb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.400
_cell_length_b   4.400
_cell_length_c   10.078
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.133
_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
  U  U0  1  0.250  0.250  0.245  1.0
  U  U1  1  0.750  0.750  0.755  1.0
  Sb  Sb2  1  0.250  0.250  0.686  1.0
  Sb  Sb3  1  0.750  0.750  0.314  1.0
  Sb  Sb4  1  0.750  0.250  0.000  1.0
  Sb  Sb5  1  0.250  0.750  0.000  1.0
  Au  Au6  1  0.750  0.250  0.500  1.0
  Au  Au7  1  0.250  0.750  0.500  1.0
[/CIF]
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