The material structure described by AuTlSb is Marcasite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to one Tl(1), two equivalent Tl(2), one Sb(2), and two equivalent Sb(1) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 54-80°. In the second Au site, Au(2) is bonded to one Tl(2), two equivalent Tl(1), one Sb(1), and two equivalent Sb(2) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 49-80°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal planar geometry to one Au(2) and two equivalent Au(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Au(2) and two equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms. is represented by the CIF card [CIF]
data_TlSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.605
_cell_length_b   6.652
_cell_length_c   14.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.079
_cell_formula_units_Z   8
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
  Tl  Tl0  1  0.366  0.124  0.033  1.0
  Tl  Tl1  1  0.866  0.876  0.967  1.0
  Tl  Tl2  1  0.866  0.376  0.533  1.0
  Tl  Tl3  1  0.366  0.624  0.467  1.0
  Tl  Tl4  1  0.589  0.421  0.295  1.0
  Tl  Tl5  1  0.089  0.579  0.705  1.0
  Tl  Tl6  1  0.089  0.079  0.795  1.0
  Tl  Tl7  1  0.589  0.921  0.205  1.0
  Sb  Sb8  1  0.358  0.105  0.572  1.0
  Sb  Sb9  1  0.858  0.895  0.428  1.0
  Sb  Sb10  1  0.858  0.395  0.072  1.0
  Sb  Sb11  1  0.358  0.605  0.928  1.0
  Sb  Sb12  1  0.111  0.154  0.319  1.0
  Sb  Sb13  1  0.611  0.846  0.681  1.0
  Sb  Sb14  1  0.611  0.346  0.819  1.0
  Sb  Sb15  1  0.111  0.654  0.181  1.0
  Au  Au16  1  0.476  0.037  0.392  1.0
  Au  Au17  1  0.976  0.963  0.608  1.0
  Au  Au18  1  0.976  0.463  0.892  1.0
  Au  Au19  1  0.476  0.537  0.108  1.0
  Au  Au20  1  0.001  0.039  0.142  1.0
  Au  Au21  1  0.501  0.961  0.858  1.0
  Au  Au22  1  0.501  0.461  0.642  1.0
  Au  Au23  1  0.001  0.539  0.358  1.0
[/CIF]
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The material structure described by AuTlSb is Marcasite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to one Tl(1), two equivalent Tl(2), one Sb(2), and two equivalent Sb(1) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 54-80°. In the second Au site, Au(2) is bonded to one Tl(2), two equivalent Tl(1), one Sb(1), and two equivalent Sb(2) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 49-80°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal planar geometry to one Au(2) and two equivalent Au(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Au(2) and two equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms. is represented by the CIF card [CIF]
data_TlSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.605
_cell_length_b   6.652
_cell_length_c   14.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.079
_cell_formula_units_Z   8
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
  Tl  Tl0  1  0.366  0.124  0.033  1.0
  Tl  Tl1  1  0.866  0.876  0.967  1.0
  Tl  Tl2  1  0.866  0.376  0.533  1.0
  Tl  Tl3  1  0.366  0.624  0.467  1.0
  Tl  Tl4  1  0.589  0.421  0.295  1.0
  Tl  Tl5  1  0.089  0.579  0.705  1.0
  Tl  Tl6  1  0.089  0.079  0.795  1.0
  Tl  Tl7  1  0.589  0.921  0.205  1.0
  Sb  Sb8  1  0.358  0.105  0.572  1.0
  Sb  Sb9  1  0.858  0.895  0.428  1.0
  Sb  Sb10  1  0.858  0.395  0.072  1.0
  Sb  Sb11  1  0.358  0.605  0.928  1.0
  Sb  Sb12  1  0.111  0.154  0.319  1.0
  Sb  Sb13  1  0.611  0.846  0.681  1.0
  Sb  Sb14  1  0.611  0.346  0.819  1.0
  Sb  Sb15  1  0.111  0.654  0.181  1.0
  Au  Au16  1  0.476  0.037  0.392  1.0
  Au  Au17  1  0.976  0.963  0.608  1.0
  Au  Au18  1  0.976  0.463  0.892  1.0
  Au  Au19  1  0.476  0.537  0.108  1.0
  Au  Au20  1  0.001  0.039  0.142  1.0
  Au  Au21  1  0.501  0.961  0.858  1.0
  Au  Au22  1  0.501  0.461  0.642  1.0
  Au  Au23  1  0.001  0.539  0.358  1.0
[/CIF]
.