The structure described by Ta5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent Ga(1) and four equivalent Ga(2) atoms to form distorted corner-sharing TaGa6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to two equivalent Ga(1) and three equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1) and eight equivalent Ta(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), six equivalent Ta(2), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Ta5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.780
_cell_length_b   7.610
_cell_length_c   6.780
_cell_angle_alpha   116.453
_cell_angle_beta   90.000
_cell_angle_gamma   116.453
_symmetry_Int_Tables_number   1
_cell_volume   271.654
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  Ta  Ta2  1  0.505  0.688  0.683  1.0
  Ta  Ta3  1  0.183  0.688  0.005  1.0
  Ta  Ta4  1  0.683  0.688  0.183  1.0
  Ta  Ta5  1  0.005  0.688  0.505  1.0
  Ta  Ta6  1  0.495  0.312  0.317  1.0
  Ta  Ta7  1  0.817  0.312  0.995  1.0
  Ta  Ta8  1  0.317  0.312  0.817  1.0
  Ta  Ta9  1  0.995  0.312  0.495  1.0
  Ga  Ga10  1  0.750  0.500  0.750  1.0
  Ga  Ga11  1  0.250  0.500  0.250  1.0
  Ga  Ga12  1  0.866  0.000  0.634  1.0
  Ga  Ga13  1  0.134  0.000  0.366  1.0
  Ga  Ga14  1  0.634  0.000  0.134  1.0
  Ga  Ga15  1  0.366  0.000  0.866  1.0
[/CIF]
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The structure described by Ta5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent Ga(1) and four equivalent Ga(2) atoms to form distorted corner-sharing TaGa6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to two equivalent Ga(1) and three equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1) and eight equivalent Ta(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), six equivalent Ta(2), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Ta5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.780
_cell_length_b   7.610
_cell_length_c   6.780
_cell_angle_alpha   116.453
_cell_angle_beta   90.000
_cell_angle_gamma   116.453
_symmetry_Int_Tables_number   1
_cell_volume   271.654
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  Ta  Ta2  1  0.505  0.688  0.683  1.0
  Ta  Ta3  1  0.183  0.688  0.005  1.0
  Ta  Ta4  1  0.683  0.688  0.183  1.0
  Ta  Ta5  1  0.005  0.688  0.505  1.0
  Ta  Ta6  1  0.495  0.312  0.317  1.0
  Ta  Ta7  1  0.817  0.312  0.995  1.0
  Ta  Ta8  1  0.317  0.312  0.817  1.0
  Ta  Ta9  1  0.995  0.312  0.495  1.0
  Ga  Ga10  1  0.750  0.500  0.750  1.0
  Ga  Ga11  1  0.250  0.500  0.250  1.0
  Ga  Ga12  1  0.866  0.000  0.634  1.0
  Ga  Ga13  1  0.134  0.000  0.366  1.0
  Ga  Ga14  1  0.634  0.000  0.134  1.0
  Ga  Ga15  1  0.366  0.000  0.866  1.0
[/CIF]
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