The material described by Ti3In4 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), and eight equivalent In(1) atoms to form a mixture of edge, face, and corner-sharing TiTi4In8 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), and four equivalent In(1) atoms. In(1) is bonded in a 10-coordinate geometry to one Ti(2), four equivalent Ti(1), and five equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Ti3In4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.994
_cell_length_b   9.994
_cell_length_c   2.989
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.508
_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  0.176  0.324  0.500  1.0
  Ti  Ti1  1  0.324  0.824  0.500  1.0
  Ti  Ti2  1  0.676  0.176  0.500  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Ti  Ti4  1  0.824  0.676  0.500  1.0
  Ti  Ti5  1  0.000  0.500  0.000  1.0
  In  In6  1  0.441  0.288  0.000  1.0
  In  In7  1  0.788  0.941  0.000  1.0
  In  In8  1  0.059  0.788  0.000  1.0
  In  In9  1  0.288  0.559  0.000  1.0
  In  In10  1  0.559  0.712  0.000  1.0
  In  In11  1  0.712  0.441  0.000  1.0
  In  In12  1  0.212  0.059  0.000  1.0
  In  In13  1  0.941  0.212  0.000  1.0
[/CIF]
.
The material described by Ti3In4 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), and eight equivalent In(1) atoms to form a mixture of edge, face, and corner-sharing TiTi4In8 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), and four equivalent In(1) atoms. In(1) is bonded in a 10-coordinate geometry to one Ti(2), four equivalent Ti(1), and five equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Ti3In4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.994
_cell_length_b   9.994
_cell_length_c   2.989
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.508
_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  0.176  0.324  0.500  1.0
  Ti  Ti1  1  0.324  0.824  0.500  1.0
  Ti  Ti2  1  0.676  0.176  0.500  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Ti  Ti4  1  0.824  0.676  0.500  1.0
  Ti  Ti5  1  0.000  0.500  0.000  1.0
  In  In6  1  0.441  0.288  0.000  1.0
  In  In7  1  0.788  0.941  0.000  1.0
  In  In8  1  0.059  0.788  0.000  1.0
  In  In9  1  0.288  0.559  0.000  1.0
  In  In10  1  0.559  0.712  0.000  1.0
  In  In11  1  0.712  0.441  0.000  1.0
  In  In12  1  0.212  0.059  0.000  1.0
  In  In13  1  0.941  0.212  0.000  1.0
[/CIF]
.