The material structure described by Ti4FeBi2 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Bi(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Bi(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Fe(1) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4FeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.874
_cell_length_b   7.872
_cell_length_c   7.872
_cell_angle_alpha   84.493
_cell_angle_beta   71.960
_cell_angle_gamma   71.959
_symmetry_Int_Tables_number   1
_cell_volume   273.086
_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
  Ti  Ti0  1  0.580  0.726  0.115  1.0
  Ti  Ti1  1  0.920  0.886  0.275  1.0
  Ti  Ti2  1  0.306  0.114  0.274  1.0
  Ti  Ti3  1  0.805  0.275  0.114  1.0
  Ti  Ti4  1  0.694  0.886  0.726  1.0
  Ti  Ti5  1  0.080  0.114  0.725  1.0
  Ti  Ti6  1  0.420  0.274  0.885  1.0
  Ti  Ti7  1  0.195  0.725  0.886  1.0
  Fe  Fe8  1  0.245  0.000  1.000  1.0
  Fe  Fe9  1  0.755  1.000  0.000  1.0
  Bi  Bi10  1  0.359  0.782  0.499  1.0
  Bi  Bi11  1  0.141  0.499  0.218  1.0
  Bi  Bi12  1  0.641  0.218  0.501  1.0
  Bi  Bi13  1  0.859  0.501  0.782  1.0
[/CIF]
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The material structure described by Ti4FeBi2 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Bi(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Bi(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Fe(1) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4FeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.874
_cell_length_b   7.872
_cell_length_c   7.872
_cell_angle_alpha   84.493
_cell_angle_beta   71.960
_cell_angle_gamma   71.959
_symmetry_Int_Tables_number   1
_cell_volume   273.086
_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
  Ti  Ti0  1  0.580  0.726  0.115  1.0
  Ti  Ti1  1  0.920  0.886  0.275  1.0
  Ti  Ti2  1  0.306  0.114  0.274  1.0
  Ti  Ti3  1  0.805  0.275  0.114  1.0
  Ti  Ti4  1  0.694  0.886  0.726  1.0
  Ti  Ti5  1  0.080  0.114  0.725  1.0
  Ti  Ti6  1  0.420  0.274  0.885  1.0
  Ti  Ti7  1  0.195  0.725  0.886  1.0
  Fe  Fe8  1  0.245  0.000  1.000  1.0
  Fe  Fe9  1  0.755  1.000  0.000  1.0
  Bi  Bi10  1  0.359  0.782  0.499  1.0
  Bi  Bi11  1  0.141  0.499  0.218  1.0
  Bi  Bi12  1  0.641  0.218  0.501  1.0
  Bi  Bi13  1  0.859  0.501  0.782  1.0
[/CIF]
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