The material structure described by BaAuTl3 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Tl(2), and eight equivalent Tl(1) atoms. Au(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1), one Tl(2), and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Au(1) atoms. In the second Tl site, Tl(2) is bonded in a single-bond geometry to four equivalent Ba(1) and one Au(1) atom. is represented by the CIF file [CIF]
data_BaTl3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   5.062
_cell_length_c   7.208
_cell_angle_alpha   69.442
_cell_angle_beta   69.442
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.344
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.005  0.005  0.991  1.0
  Tl  Tl1  1  0.742  0.242  0.517  1.0
  Tl  Tl2  1  0.242  0.742  0.517  1.0
  Tl  Tl3  1  0.394  0.394  0.212  1.0
  Au  Au4  1  0.618  0.618  0.764  1.0
[/CIF]
.
The material structure described by BaAuTl3 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Tl(2), and eight equivalent Tl(1) atoms. Au(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1), one Tl(2), and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Au(1) atoms. In the second Tl site, Tl(2) is bonded in a single-bond geometry to four equivalent Ba(1) and one Au(1) atom. is represented by the CIF file [CIF]
data_BaTl3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   5.062
_cell_length_c   7.208
_cell_angle_alpha   69.442
_cell_angle_beta   69.442
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.344
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.005  0.005  0.991  1.0
  Tl  Tl1  1  0.742  0.242  0.517  1.0
  Tl  Tl2  1  0.242  0.742  0.517  1.0
  Tl  Tl3  1  0.394  0.394  0.212  1.0
  Au  Au4  1  0.618  0.618  0.764  1.0
[/CIF]
.