The structure described by TiTaNi6 is beta Cu3Ti-derived structured and crystallizes in the hexagonal P-6m2 space group. Ti(1) is bonded to six Ni(1,1) and six Ni(2,2,2) atoms to form TiNi12 cuboctahedra that share corners with six equivalent Ti(1)Ni12 cuboctahedra; corners with twelve Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with twelve Ni(1,1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with six equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. Ta(1) is bonded to six Ni(1,1) and six Ni(2,2,2) atoms to form TaNi12 cuboctahedra that share corners with six equivalent Ta(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with twelve Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six equivalent Ti(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ti(1); two equivalent Ta(1); four equivalent Ni(1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ta(1)Ni12 cuboctahedra; edges with four equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(2,2)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to two equivalent Ti(1); two equivalent Ta(1); four Ni(1,1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ta(1)Ni12 cuboctahedra; edges with four equivalent Ti(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(2,2)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ta(1); four equivalent Ni(1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ti(1)Ni12 cuboctahedra; corners with fourteen Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ta(1)Ni12 cuboctahedra; edges with four Ni(2,2)Ta2Ti2Ni8 cuboctahedra; edges with eight equivalent Ni(1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(1,1)Ta2Ti2Ni8 cuboctahedra. In the fourth Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ta(1); four Ni(1,1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ti(1)Ni12 cuboctahedra; corners with fourteen Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ta(1)Ni12 cuboctahedra; edges with four Ni(2,2)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(1,1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(1,1)Ta2Ti2Ni8 cuboctahedra. In the fifth Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ta(1); four Ni(1,1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ti(1)Ni12 cuboctahedra; corners with fourteen Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ta(1)Ni12 cuboctahedra; edges with four Ni(2,2)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(1,1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(1,1)Ta2Ti2Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_TaTiNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.079
_cell_length_c   4.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   93.744
_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  0.667  0.333  0.500  1.0
  Ti  Ti1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.674  0.837  0.500  1.0
  Ni  Ni3  1  0.163  0.837  0.500  1.0
  Ni  Ni4  1  0.163  0.326  0.500  1.0
  Ni  Ni5  1  0.323  0.161  0.000  1.0
  Ni  Ni6  1  0.839  0.161  0.000  1.0
  Ni  Ni7  1  0.839  0.677  0.000  1.0
[/CIF]
.
The structure described by TiTaNi6 is beta Cu3Ti-derived structured and crystallizes in the hexagonal P-6m2 space group. Ti(1) is bonded to six Ni(1,1) and six Ni(2,2,2) atoms to form TiNi12 cuboctahedra that share corners with six equivalent Ti(1)Ni12 cuboctahedra; corners with twelve Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with twelve Ni(1,1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with six equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. Ta(1) is bonded to six Ni(1,1) and six Ni(2,2,2) atoms to form TaNi12 cuboctahedra that share corners with six equivalent Ta(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with twelve Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six equivalent Ti(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ti(1); two equivalent Ta(1); four equivalent Ni(1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ta(1)Ni12 cuboctahedra; edges with four equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(2,2)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to two equivalent Ti(1); two equivalent Ta(1); four Ni(1,1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ta(1)Ni12 cuboctahedra; edges with four equivalent Ti(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(2,2)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(1,1)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ta(1); four equivalent Ni(1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ti(1)Ni12 cuboctahedra; corners with fourteen Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ta(1)Ni12 cuboctahedra; edges with four Ni(2,2)Ta2Ti2Ni8 cuboctahedra; edges with eight equivalent Ni(1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(1,1)Ta2Ti2Ni8 cuboctahedra. In the fourth Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ta(1); four Ni(1,1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ti(1)Ni12 cuboctahedra; corners with fourteen Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ta(1)Ni12 cuboctahedra; edges with four Ni(2,2)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(1,1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(1,1)Ta2Ti2Ni8 cuboctahedra. In the fifth Ni site, Ni(2) is bonded to two equivalent Ti(1); two equivalent Ta(1); four Ni(1,1); and four Ni(2,2) atoms to form distorted NiTa2Ti2Ni8 cuboctahedra that share corners with four equivalent Ti(1)Ni12 cuboctahedra; corners with fourteen Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; edges with two equivalent Ti(1)Ni12 cuboctahedra; edges with four equivalent Ta(1)Ni12 cuboctahedra; edges with four Ni(2,2)Ta2Ti2Ni8 cuboctahedra; edges with eight Ni(1,1)Ta2Ti2Ni8 cuboctahedra; faces with two equivalent Ti(1)Ni12 cuboctahedra; faces with two equivalent Ta(1)Ni12 cuboctahedra; faces with six Ni(2,2,2)Ta2Ti2Ni8 cuboctahedra; and faces with ten Ni(1,1)Ta2Ti2Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_TaTiNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.079
_cell_length_c   4.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   93.744
_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  0.667  0.333  0.500  1.0
  Ti  Ti1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.674  0.837  0.500  1.0
  Ni  Ni3  1  0.163  0.837  0.500  1.0
  Ni  Ni4  1  0.163  0.326  0.500  1.0
  Ni  Ni5  1  0.323  0.161  0.000  1.0
  Ni  Ni6  1  0.839  0.161  0.000  1.0
  Ni  Ni7  1  0.839  0.677  0.000  1.0
[/CIF]
.