The material described by TiZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve Zn(1,1) atoms to form TiZn12 cuboctahedra that share corners with six equivalent Ti(1)Zn12 cuboctahedra; corners with twelve Zn(1,1)Ti4Zn8 cuboctahedra; edges with eighteen Zn(1,1)Ti4Zn8 cuboctahedra; faces with eight equivalent Ti(1)Zn12 cuboctahedra; and faces with twelve Zn(1,1)Ti4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ti(1) and eight Zn(1,1) atoms to form ZnTi4Zn8 cuboctahedra that share corners with four equivalent Ti(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Ti4Zn8 cuboctahedra; edges with six equivalent Ti(1)Zn12 cuboctahedra; edges with twelve Zn(1,1)Ti4Zn8 cuboctahedra; faces with four equivalent Ti(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Ti4Zn8 cuboctahedra. In the second Zn site, Zn(1) is bonded to four equivalent Ti(1) and eight equivalent Zn(1) atoms to form ZnTi4Zn8 cuboctahedra that share corners with four equivalent Ti(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Ti4Zn8 cuboctahedra; edges with six equivalent Ti(1)Zn12 cuboctahedra; edges with twelve equivalent Zn(1)Ti4Zn8 cuboctahedra; faces with four equivalent Ti(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Ti4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_TiZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.571
_cell_length_b   5.571
_cell_length_c   4.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.648
_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  0.333  0.667  0.750  1.0
  Ti  Ti1  1  0.667  0.333  0.250  1.0
  Zn  Zn2  1  0.165  0.330  0.250  1.0
  Zn  Zn3  1  0.670  0.835  0.250  1.0
  Zn  Zn4  1  0.165  0.835  0.250  1.0
  Zn  Zn5  1  0.835  0.670  0.750  1.0
  Zn  Zn6  1  0.330  0.165  0.750  1.0
  Zn  Zn7  1  0.835  0.165  0.750  1.0
[/CIF]
.
The material described by TiZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve Zn(1,1) atoms to form TiZn12 cuboctahedra that share corners with six equivalent Ti(1)Zn12 cuboctahedra; corners with twelve Zn(1,1)Ti4Zn8 cuboctahedra; edges with eighteen Zn(1,1)Ti4Zn8 cuboctahedra; faces with eight equivalent Ti(1)Zn12 cuboctahedra; and faces with twelve Zn(1,1)Ti4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ti(1) and eight Zn(1,1) atoms to form ZnTi4Zn8 cuboctahedra that share corners with four equivalent Ti(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Ti4Zn8 cuboctahedra; edges with six equivalent Ti(1)Zn12 cuboctahedra; edges with twelve Zn(1,1)Ti4Zn8 cuboctahedra; faces with four equivalent Ti(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Ti4Zn8 cuboctahedra. In the second Zn site, Zn(1) is bonded to four equivalent Ti(1) and eight equivalent Zn(1) atoms to form ZnTi4Zn8 cuboctahedra that share corners with four equivalent Ti(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Ti4Zn8 cuboctahedra; edges with six equivalent Ti(1)Zn12 cuboctahedra; edges with twelve equivalent Zn(1)Ti4Zn8 cuboctahedra; faces with four equivalent Ti(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Ti4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_TiZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.571
_cell_length_b   5.571
_cell_length_c   4.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.648
_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  0.333  0.667  0.750  1.0
  Ti  Ti1  1  0.667  0.333  0.250  1.0
  Zn  Zn2  1  0.165  0.330  0.250  1.0
  Zn  Zn3  1  0.670  0.835  0.250  1.0
  Zn  Zn4  1  0.165  0.835  0.250  1.0
  Zn  Zn5  1  0.835  0.670  0.750  1.0
  Zn  Zn6  1  0.330  0.165  0.750  1.0
  Zn  Zn7  1  0.835  0.165  0.750  1.0
[/CIF]
.