The structure described by Hf2TiNi3 crystallizes in the orthorhombic Fddd space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a body-centered cubic geometry to two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms. In the second Hf site, Hf(2) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ni(3), three equivalent Ni(1), and three equivalent Ni(2) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to two equivalent Hf(2), four equivalent Hf(3), four equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Ti site, Ti(2) is bonded in a distorted cuboctahedral geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2), two equivalent Ni(3), and four equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Hf(1), one Hf(2), three equivalent Hf(3), one Ti(1), and two equivalent Ti(3) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one Hf(2), two equivalent Hf(1), three equivalent Hf(3), one Ti(2), and one Ti(3) atom. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Hf(1), two equivalent Hf(2), two equivalent Hf(3), one Ti(1), one Ti(2), and one Ti(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2TiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.522
_cell_length_b   13.795
_cell_length_c   7.717
_cell_angle_alpha   79.455
_cell_angle_beta   69.052
_cell_angle_gamma   31.494
_symmetry_Int_Tables_number   1
_cell_volume   730.296
_cell_formula_units_Z   8
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  0.410  0.410  0.090  1.0
  Hf  Hf1  1  0.090  0.090  0.410  1.0
  Hf  Hf2  1  0.840  0.840  0.160  1.0
  Hf  Hf3  1  0.160  0.160  0.840  1.0
  Hf  Hf4  1  0.281  0.719  0.281  1.0
  Hf  Hf5  1  0.719  0.281  0.719  1.0
  Hf  Hf6  1  0.969  0.531  0.969  1.0
  Hf  Hf7  1  0.531  0.969  0.531  1.0
  Hf  Hf8  1  0.189  0.662  0.810  1.0
  Hf  Hf9  1  0.339  0.810  0.662  1.0
  Hf  Hf10  1  0.061  0.588  0.440  1.0
  Hf  Hf11  1  0.911  0.440  0.588  1.0
  Hf  Hf12  1  0.810  0.339  0.189  1.0
  Hf  Hf13  1  0.662  0.189  0.339  1.0
  Hf  Hf14  1  0.440  0.911  0.061  1.0
  Hf  Hf15  1  0.588  0.061  0.911  1.0
  Ti  Ti16  1  0.500  0.500  0.500  1.0
  Ti  Ti17  1  0.750  0.750  0.750  1.0
  Ti  Ti18  1  0.000  0.000  0.000  1.0
  Ti  Ti19  1  0.250  0.250  0.250  1.0
  Ti  Ti20  1  0.917  0.917  0.583  1.0
  Ti  Ti21  1  0.583  0.583  0.917  1.0
  Ti  Ti22  1  0.333  0.333  0.667  1.0
  Ti  Ti23  1  0.667  0.667  0.333  1.0
  Ni  Ni24  1  0.276  0.534  0.462  1.0
  Ni  Ni25  1  0.728  0.462  0.534  1.0
  Ni  Ni26  1  0.974  0.716  0.788  1.0
  Ni  Ni27  1  0.522  0.788  0.716  1.0
  Ni  Ni28  1  0.462  0.728  0.276  1.0
  Ni  Ni29  1  0.534  0.276  0.728  1.0
  Ni  Ni30  1  0.788  0.522  0.974  1.0
  Ni  Ni31  1  0.716  0.974  0.522  1.0
  Ni  Ni32  1  0.795  0.046  0.933  1.0
  Ni  Ni33  1  0.226  0.933  0.046  1.0
  Ni  Ni34  1  0.455  0.204  0.317  1.0
  Ni  Ni35  1  0.024  0.317  0.204  1.0
  Ni  Ni36  1  0.933  0.226  0.795  1.0
  Ni  Ni37  1  0.046  0.795  0.226  1.0
  Ni  Ni38  1  0.317  0.024  0.455  1.0
  Ni  Ni39  1  0.204  0.455  0.024  1.0
  Ni  Ni40  1  0.070  0.933  0.645  1.0
  Ni  Ni41  1  0.352  0.645  0.933  1.0
  Ni  Ni42  1  0.180  0.317  0.605  1.0
  Ni  Ni43  1  0.898  0.605  0.317  1.0
  Ni  Ni44  1  0.645  0.352  0.070  1.0
  Ni  Ni45  1  0.933  0.070  0.352  1.0
  Ni  Ni46  1  0.605  0.898  0.180  1.0
  Ni  Ni47  1  0.317  0.180  0.898  1.0
[/CIF]
.
The structure described by Hf2TiNi3 crystallizes in the orthorhombic Fddd space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a body-centered cubic geometry to two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms. In the second Hf site, Hf(2) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ni(3), three equivalent Ni(1), and three equivalent Ni(2) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to two equivalent Hf(2), four equivalent Hf(3), four equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Ti site, Ti(2) is bonded in a distorted cuboctahedral geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2), two equivalent Ni(3), and four equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Hf(1), one Hf(2), three equivalent Hf(3), one Ti(1), and two equivalent Ti(3) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one Hf(2), two equivalent Hf(1), three equivalent Hf(3), one Ti(2), and one Ti(3) atom. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Hf(1), two equivalent Hf(2), two equivalent Hf(3), one Ti(1), one Ti(2), and one Ti(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2TiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.522
_cell_length_b   13.795
_cell_length_c   7.717
_cell_angle_alpha   79.455
_cell_angle_beta   69.052
_cell_angle_gamma   31.494
_symmetry_Int_Tables_number   1
_cell_volume   730.296
_cell_formula_units_Z   8
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  0.410  0.410  0.090  1.0
  Hf  Hf1  1  0.090  0.090  0.410  1.0
  Hf  Hf2  1  0.840  0.840  0.160  1.0
  Hf  Hf3  1  0.160  0.160  0.840  1.0
  Hf  Hf4  1  0.281  0.719  0.281  1.0
  Hf  Hf5  1  0.719  0.281  0.719  1.0
  Hf  Hf6  1  0.969  0.531  0.969  1.0
  Hf  Hf7  1  0.531  0.969  0.531  1.0
  Hf  Hf8  1  0.189  0.662  0.810  1.0
  Hf  Hf9  1  0.339  0.810  0.662  1.0
  Hf  Hf10  1  0.061  0.588  0.440  1.0
  Hf  Hf11  1  0.911  0.440  0.588  1.0
  Hf  Hf12  1  0.810  0.339  0.189  1.0
  Hf  Hf13  1  0.662  0.189  0.339  1.0
  Hf  Hf14  1  0.440  0.911  0.061  1.0
  Hf  Hf15  1  0.588  0.061  0.911  1.0
  Ti  Ti16  1  0.500  0.500  0.500  1.0
  Ti  Ti17  1  0.750  0.750  0.750  1.0
  Ti  Ti18  1  0.000  0.000  0.000  1.0
  Ti  Ti19  1  0.250  0.250  0.250  1.0
  Ti  Ti20  1  0.917  0.917  0.583  1.0
  Ti  Ti21  1  0.583  0.583  0.917  1.0
  Ti  Ti22  1  0.333  0.333  0.667  1.0
  Ti  Ti23  1  0.667  0.667  0.333  1.0
  Ni  Ni24  1  0.276  0.534  0.462  1.0
  Ni  Ni25  1  0.728  0.462  0.534  1.0
  Ni  Ni26  1  0.974  0.716  0.788  1.0
  Ni  Ni27  1  0.522  0.788  0.716  1.0
  Ni  Ni28  1  0.462  0.728  0.276  1.0
  Ni  Ni29  1  0.534  0.276  0.728  1.0
  Ni  Ni30  1  0.788  0.522  0.974  1.0
  Ni  Ni31  1  0.716  0.974  0.522  1.0
  Ni  Ni32  1  0.795  0.046  0.933  1.0
  Ni  Ni33  1  0.226  0.933  0.046  1.0
  Ni  Ni34  1  0.455  0.204  0.317  1.0
  Ni  Ni35  1  0.024  0.317  0.204  1.0
  Ni  Ni36  1  0.933  0.226  0.795  1.0
  Ni  Ni37  1  0.046  0.795  0.226  1.0
  Ni  Ni38  1  0.317  0.024  0.455  1.0
  Ni  Ni39  1  0.204  0.455  0.024  1.0
  Ni  Ni40  1  0.070  0.933  0.645  1.0
  Ni  Ni41  1  0.352  0.645  0.933  1.0
  Ni  Ni42  1  0.180  0.317  0.605  1.0
  Ni  Ni43  1  0.898  0.605  0.317  1.0
  Ni  Ni44  1  0.645  0.352  0.070  1.0
  Ni  Ni45  1  0.933  0.070  0.352  1.0
  Ni  Ni46  1  0.605  0.898  0.180  1.0
  Ni  Ni47  1  0.317  0.180  0.898  1.0
[/CIF]
.