The structure described by TiGa2 crystallizes in the tetragonal I4_1/amd space group. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Ga(2) and six equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Ti(1), two equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaTi6Ga6 cuboctahedra that share corners with four equivalent Ga(2)Ti4Ga8 cuboctahedra, corners with eight equivalent Ga(1)Ti6Ga6 cuboctahedra, edges with four equivalent Ga(1)Ti6Ga6 cuboctahedra, edges with twelve equivalent Ga(2)Ti4Ga8 cuboctahedra, faces with five equivalent Ga(2)Ti4Ga8 cuboctahedra, and faces with seven equivalent Ga(1)Ti6Ga6 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Ti(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaTi4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Ti4Ga8 cuboctahedra, corners with four equivalent Ga(1)Ti6Ga6 cuboctahedra, edges with twelve equivalent Ga(1)Ti6Ga6 cuboctahedra, faces with five equivalent Ga(1)Ti6Ga6 cuboctahedra, and faces with eight equivalent Ga(2)Ti4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_TiGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   3.903
_cell_length_c   12.441
_cell_angle_alpha   99.048
_cell_angle_beta   99.047
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   184.792
_cell_formula_units_Z   4
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  0.201  0.451  0.902  1.0
  Ti  Ti1  1  0.049  0.299  0.598  1.0
  Ti  Ti2  1  0.951  0.701  0.402  1.0
  Ti  Ti3  1  0.799  0.549  0.098  1.0
  Ga  Ga4  1  0.464  0.214  0.427  1.0
  Ga  Ga5  1  0.536  0.786  0.573  1.0
  Ga  Ga6  1  0.287  0.037  0.073  1.0
  Ga  Ga7  1  0.713  0.963  0.927  1.0
  Ga  Ga8  1  0.126  0.875  0.751  1.0
  Ga  Ga9  1  0.376  0.626  0.251  1.0
  Ga  Ga10  1  0.874  0.125  0.249  1.0
  Ga  Ga11  1  0.624  0.374  0.749  1.0
[/CIF]
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The structure described by TiGa2 crystallizes in the tetragonal I4_1/amd space group. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Ga(2) and six equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Ti(1), two equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaTi6Ga6 cuboctahedra that share corners with four equivalent Ga(2)Ti4Ga8 cuboctahedra, corners with eight equivalent Ga(1)Ti6Ga6 cuboctahedra, edges with four equivalent Ga(1)Ti6Ga6 cuboctahedra, edges with twelve equivalent Ga(2)Ti4Ga8 cuboctahedra, faces with five equivalent Ga(2)Ti4Ga8 cuboctahedra, and faces with seven equivalent Ga(1)Ti6Ga6 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Ti(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaTi4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Ti4Ga8 cuboctahedra, corners with four equivalent Ga(1)Ti6Ga6 cuboctahedra, edges with twelve equivalent Ga(1)Ti6Ga6 cuboctahedra, faces with five equivalent Ga(1)Ti6Ga6 cuboctahedra, and faces with eight equivalent Ga(2)Ti4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_TiGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   3.903
_cell_length_c   12.441
_cell_angle_alpha   99.048
_cell_angle_beta   99.047
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   184.792
_cell_formula_units_Z   4
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  0.201  0.451  0.902  1.0
  Ti  Ti1  1  0.049  0.299  0.598  1.0
  Ti  Ti2  1  0.951  0.701  0.402  1.0
  Ti  Ti3  1  0.799  0.549  0.098  1.0
  Ga  Ga4  1  0.464  0.214  0.427  1.0
  Ga  Ga5  1  0.536  0.786  0.573  1.0
  Ga  Ga6  1  0.287  0.037  0.073  1.0
  Ga  Ga7  1  0.713  0.963  0.927  1.0
  Ga  Ga8  1  0.126  0.875  0.751  1.0
  Ga  Ga9  1  0.376  0.626  0.251  1.0
  Ga  Ga10  1  0.874  0.125  0.249  1.0
  Ga  Ga11  1  0.624  0.374  0.749  1.0
[/CIF]
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