The structure described by HfTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to twelve Ti(1,1) atoms to form HfTi12 cuboctahedra that share corners with six equivalent Hf(1)Ti12 cuboctahedra; corners with twelve Ti(1,1)Hf4Ti8 cuboctahedra; edges with eighteen Ti(1,1)Hf4Ti8 cuboctahedra; faces with eight equivalent Hf(1)Ti12 cuboctahedra; and faces with twelve Ti(1,1)Hf4Ti8 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Hf(1) and eight Ti(1,1) atoms to form distorted TiHf4Ti8 cuboctahedra that share corners with four equivalent Hf(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Hf4Ti8 cuboctahedra; edges with six equivalent Hf(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Hf4Ti8 cuboctahedra; faces with four equivalent Hf(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Hf4Ti8 cuboctahedra. In the second Ti site, Ti(1) is bonded to four equivalent Hf(1) and eight equivalent Ti(1) atoms to form distorted TiHf4Ti8 cuboctahedra that share corners with four equivalent Hf(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Hf4Ti8 cuboctahedra; edges with six equivalent Hf(1)Ti12 cuboctahedra; edges with twelve equivalent Ti(1)Hf4Ti8 cuboctahedra; faces with four equivalent Hf(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Hf4Ti8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.024
_cell_length_b   6.024
_cell_length_c   4.725
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.516
_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
  Hf  Hf0  1  0.333  0.667  0.750  1.0
  Hf  Hf1  1  0.667  0.333  0.250  1.0
  Ti  Ti2  1  0.161  0.323  0.250  1.0
  Ti  Ti3  1  0.677  0.839  0.250  1.0
  Ti  Ti4  1  0.161  0.839  0.250  1.0
  Ti  Ti5  1  0.839  0.677  0.750  1.0
  Ti  Ti6  1  0.323  0.161  0.750  1.0
  Ti  Ti7  1  0.839  0.161  0.750  1.0
[/CIF]
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The structure described by HfTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to twelve Ti(1,1) atoms to form HfTi12 cuboctahedra that share corners with six equivalent Hf(1)Ti12 cuboctahedra; corners with twelve Ti(1,1)Hf4Ti8 cuboctahedra; edges with eighteen Ti(1,1)Hf4Ti8 cuboctahedra; faces with eight equivalent Hf(1)Ti12 cuboctahedra; and faces with twelve Ti(1,1)Hf4Ti8 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Hf(1) and eight Ti(1,1) atoms to form distorted TiHf4Ti8 cuboctahedra that share corners with four equivalent Hf(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Hf4Ti8 cuboctahedra; edges with six equivalent Hf(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Hf4Ti8 cuboctahedra; faces with four equivalent Hf(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Hf4Ti8 cuboctahedra. In the second Ti site, Ti(1) is bonded to four equivalent Hf(1) and eight equivalent Ti(1) atoms to form distorted TiHf4Ti8 cuboctahedra that share corners with four equivalent Hf(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Hf4Ti8 cuboctahedra; edges with six equivalent Hf(1)Ti12 cuboctahedra; edges with twelve equivalent Ti(1)Hf4Ti8 cuboctahedra; faces with four equivalent Hf(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1)Hf4Ti8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.024
_cell_length_b   6.024
_cell_length_c   4.725
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.516
_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
  Hf  Hf0  1  0.333  0.667  0.750  1.0
  Hf  Hf1  1  0.667  0.333  0.250  1.0
  Ti  Ti2  1  0.161  0.323  0.250  1.0
  Ti  Ti3  1  0.677  0.839  0.250  1.0
  Ti  Ti4  1  0.161  0.839  0.250  1.0
  Ti  Ti5  1  0.839  0.677  0.750  1.0
  Ti  Ti6  1  0.323  0.161  0.750  1.0
  Ti  Ti7  1  0.839  0.161  0.750  1.0
[/CIF]
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