The structure described by TaGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ta(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form TaGa12 cuboctahedra that share corners with four equivalent Ta(1)Ga12 cuboctahedra, edges with eight equivalent Ta(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(2)Ta4Ga8 cuboctahedra, faces with four equivalent Ta(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(2)Ta4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted square co-planar geometry to four equivalent Ta(1) and eight equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Ta(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form GaTa4Ga8 cuboctahedra that share corners with twelve equivalent Ga(2)Ta4Ga8 cuboctahedra, edges with eight equivalent Ta(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ta4Ga8 cuboctahedra, faces with four equivalent Ta(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(2)Ta4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_TaGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.790
_cell_length_b   3.790
_cell_length_c   5.094
_cell_angle_alpha   111.842
_cell_angle_beta   111.842
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.235
_cell_formula_units_Z   1
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
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.750  0.250  0.500  1.0
[/CIF]
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The structure described by TaGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ta(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form TaGa12 cuboctahedra that share corners with four equivalent Ta(1)Ga12 cuboctahedra, edges with eight equivalent Ta(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(2)Ta4Ga8 cuboctahedra, faces with four equivalent Ta(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(2)Ta4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted square co-planar geometry to four equivalent Ta(1) and eight equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Ta(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form GaTa4Ga8 cuboctahedra that share corners with twelve equivalent Ga(2)Ta4Ga8 cuboctahedra, edges with eight equivalent Ta(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ta4Ga8 cuboctahedra, faces with four equivalent Ta(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(2)Ta4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_TaGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.790
_cell_length_b   3.790
_cell_length_c   5.094
_cell_angle_alpha   111.842
_cell_angle_beta   111.842
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.235
_cell_formula_units_Z   1
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
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.750  0.250  0.500  1.0
[/CIF]
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