The material structure described by TiAu4 crystallizes in the tetragonal I4/m space group. Ti(1) is bonded to twelve equivalent Au(1) atoms to form a mixture of edge and face-sharing TiAu12 cuboctahedra. Au(1) is bonded in a 3-coordinate geometry to three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_TiAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   5.038
_cell_length_c   5.038
_cell_angle_alpha   81.096
_cell_angle_beta   66.833
_cell_angle_gamma   66.833
_symmetry_Int_Tables_number   1
_cell_volume   85.017
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.605  0.602  0.188  1.0
  Au  Au2  1  0.395  0.398  0.812  1.0
  Au  Au3  1  0.793  0.812  0.602  1.0
  Au  Au4  1  0.207  0.188  0.398  1.0
[/CIF]
.
The material structure described by TiAu4 crystallizes in the tetragonal I4/m space group. Ti(1) is bonded to twelve equivalent Au(1) atoms to form a mixture of edge and face-sharing TiAu12 cuboctahedra. Au(1) is bonded in a 3-coordinate geometry to three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_TiAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   5.038
_cell_length_c   5.038
_cell_angle_alpha   81.096
_cell_angle_beta   66.833
_cell_angle_gamma   66.833
_symmetry_Int_Tables_number   1
_cell_volume   85.017
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.605  0.602  0.188  1.0
  Au  Au2  1  0.395  0.398  0.812  1.0
  Au  Au3  1  0.793  0.812  0.602  1.0
  Au  Au4  1  0.207  0.188  0.398  1.0
[/CIF]
.