The crystal structure described by Ti5Ga3 crystallizes in the tetragonal I4/mcm 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 Ga(2) and four equivalent Ga(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted q6 geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to eight equivalent Ti(1) and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ti5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   7.679
_cell_length_c   7.679
_cell_angle_alpha   83.973
_cell_angle_beta   71.093
_cell_angle_gamma   71.093
_symmetry_Int_Tables_number   1
_cell_volume   262.624
_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  0.723  0.855  0.700  1.0
  Ti  Ti1  1  0.277  0.145  0.300  1.0
  Ti  Ti2  1  0.777  0.300  0.145  1.0
  Ti  Ti3  1  0.223  0.700  0.855  1.0
  Ti  Ti4  1  0.577  0.700  0.145  1.0
  Ti  Ti5  1  0.423  0.300  0.855  1.0
  Ti  Ti6  1  0.077  0.145  0.700  1.0
  Ti  Ti7  1  0.923  0.855  0.300  1.0
  Ti  Ti8  1  0.750  0.500  0.500  1.0
  Ti  Ti9  1  0.250  0.500  0.500  1.0
  Ga  Ga10  1  0.165  0.500  0.170  1.0
  Ga  Ga11  1  0.835  0.500  0.830  1.0
  Ga  Ga12  1  0.335  0.830  0.500  1.0
  Ga  Ga13  1  0.665  0.170  0.500  1.0
  Ga  Ga14  1  0.250  0.000  0.000  1.0
  Ga  Ga15  1  0.750  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ti5Ga3 crystallizes in the tetragonal I4/mcm 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 Ga(2) and four equivalent Ga(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted q6 geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to eight equivalent Ti(1) and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ti5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   7.679
_cell_length_c   7.679
_cell_angle_alpha   83.973
_cell_angle_beta   71.093
_cell_angle_gamma   71.093
_symmetry_Int_Tables_number   1
_cell_volume   262.624
_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  0.723  0.855  0.700  1.0
  Ti  Ti1  1  0.277  0.145  0.300  1.0
  Ti  Ti2  1  0.777  0.300  0.145  1.0
  Ti  Ti3  1  0.223  0.700  0.855  1.0
  Ti  Ti4  1  0.577  0.700  0.145  1.0
  Ti  Ti5  1  0.423  0.300  0.855  1.0
  Ti  Ti6  1  0.077  0.145  0.700  1.0
  Ti  Ti7  1  0.923  0.855  0.300  1.0
  Ti  Ti8  1  0.750  0.500  0.500  1.0
  Ti  Ti9  1  0.250  0.500  0.500  1.0
  Ga  Ga10  1  0.165  0.500  0.170  1.0
  Ga  Ga11  1  0.835  0.500  0.830  1.0
  Ga  Ga12  1  0.335  0.830  0.500  1.0
  Ga  Ga13  1  0.665  0.170  0.500  1.0
  Ga  Ga14  1  0.250  0.000  0.000  1.0
  Ga  Ga15  1  0.750  0.000  0.000  1.0
[/CIF]
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