The structure described by TiNiGa5 crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ga(2) and eight Ga(1,1,1,1) atoms to form distorted TiGa12 cuboctahedra that share corners with four equivalent Ti(1)Ga12 cuboctahedra, faces with four equivalent Ti(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Ti4Ga8 cuboctahedra. Ni(1) is bonded in a body-centered cubic geometry to eight Ga(1,1,1,1) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the second Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the third Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the fourth Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the fifth Ga site, Ga(2) is bonded to four equivalent Ti(1) and eight Ga(1,1,1,1) atoms to form GaTi4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Ti4Ga8 cuboctahedra, faces with four equivalent Ti(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Ti4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_TiGa5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.141
_cell_length_b   4.141
_cell_length_c   6.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.184
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.000  0.500  0.293  1.0
  Ga  Ga2  1  0.000  0.500  0.707  1.0
  Ga  Ga3  1  0.500  0.000  0.293  1.0
  Ga  Ga4  1  0.500  0.000  0.707  1.0
  Ga  Ga5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by TiNiGa5 crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ga(2) and eight Ga(1,1,1,1) atoms to form distorted TiGa12 cuboctahedra that share corners with four equivalent Ti(1)Ga12 cuboctahedra, faces with four equivalent Ti(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Ti4Ga8 cuboctahedra. Ni(1) is bonded in a body-centered cubic geometry to eight Ga(1,1,1,1) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the second Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the third Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the fourth Ga site, Ga(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1); two equivalent Ni(1); two equivalent Ga(2); and five Ga(1,1) atoms. In the fifth Ga site, Ga(2) is bonded to four equivalent Ti(1) and eight Ga(1,1,1,1) atoms to form GaTi4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Ti4Ga8 cuboctahedra, faces with four equivalent Ti(1)Ga12 cuboctahedra, and faces with four equivalent Ga(2)Ti4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_TiGa5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.141
_cell_length_b   4.141
_cell_length_c   6.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.184
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.000  0.500  0.293  1.0
  Ga  Ga2  1  0.000  0.500  0.707  1.0
  Ga  Ga3  1  0.500  0.000  0.293  1.0
  Ga  Ga4  1  0.500  0.000  0.707  1.0
  Ga  Ga5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.500  1.0
[/CIF]
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