The crystal structure described by Ti6Ni7Al16 crystallizes in the cubic Fm-3m space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), four equivalent Ni(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded to three equivalent Ti(1), one Ni(2), and three equivalent Ni(1) atoms to form a mixture of distorted edge, corner, and face-sharing AlTi3Ni4 tetrahedra. In the second Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Ti(1) and three equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Ti6Al16Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.292
_cell_length_b   8.292
_cell_length_c   8.292
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   403.174
_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  0.183  0.817  0.817  1.0
  Ti  Ti1  1  0.817  0.183  0.183  1.0
  Ti  Ti2  1  0.817  0.183  0.817  1.0
  Ti  Ti3  1  0.817  0.817  0.183  1.0
  Ti  Ti4  1  0.183  0.817  0.183  1.0
  Ti  Ti5  1  0.183  0.183  0.817  1.0
  Al  Al6  1  0.837  0.837  0.837  1.0
  Al  Al7  1  0.837  0.837  0.489  1.0
  Al  Al8  1  0.489  0.837  0.837  1.0
  Al  Al9  1  0.837  0.489  0.837  1.0
  Al  Al10  1  0.163  0.163  0.163  1.0
  Al  Al11  1  0.163  0.163  0.511  1.0
  Al  Al12  1  0.163  0.511  0.163  1.0
  Al  Al13  1  0.511  0.163  0.163  1.0
  Al  Al14  1  0.619  0.619  0.619  1.0
  Al  Al15  1  0.619  0.619  0.143  1.0
  Al  Al16  1  0.143  0.619  0.619  1.0
  Al  Al17  1  0.619  0.143  0.619  1.0
  Al  Al18  1  0.381  0.381  0.381  1.0
  Al  Al19  1  0.381  0.381  0.857  1.0
  Al  Al20  1  0.381  0.857  0.381  1.0
  Al  Al21  1  0.857  0.381  0.381  1.0
  Ni  Ni22  1  0.000  0.500  0.500  1.0
  Ni  Ni23  1  0.500  0.000  1.000  1.0
  Ni  Ni24  1  0.500  0.000  0.500  1.0
  Ni  Ni25  1  0.500  0.500  1.000  1.0
  Ni  Ni26  1  1.000  0.500  0.000  1.0
  Ni  Ni27  1  0.000  1.000  0.500  1.0
  Ni  Ni28  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Ti6Ni7Al16 crystallizes in the cubic Fm-3m space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), four equivalent Ni(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded to three equivalent Ti(1), one Ni(2), and three equivalent Ni(1) atoms to form a mixture of distorted edge, corner, and face-sharing AlTi3Ni4 tetrahedra. In the second Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Ti(1) and three equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Ti6Al16Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.292
_cell_length_b   8.292
_cell_length_c   8.292
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   403.174
_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  0.183  0.817  0.817  1.0
  Ti  Ti1  1  0.817  0.183  0.183  1.0
  Ti  Ti2  1  0.817  0.183  0.817  1.0
  Ti  Ti3  1  0.817  0.817  0.183  1.0
  Ti  Ti4  1  0.183  0.817  0.183  1.0
  Ti  Ti5  1  0.183  0.183  0.817  1.0
  Al  Al6  1  0.837  0.837  0.837  1.0
  Al  Al7  1  0.837  0.837  0.489  1.0
  Al  Al8  1  0.489  0.837  0.837  1.0
  Al  Al9  1  0.837  0.489  0.837  1.0
  Al  Al10  1  0.163  0.163  0.163  1.0
  Al  Al11  1  0.163  0.163  0.511  1.0
  Al  Al12  1  0.163  0.511  0.163  1.0
  Al  Al13  1  0.511  0.163  0.163  1.0
  Al  Al14  1  0.619  0.619  0.619  1.0
  Al  Al15  1  0.619  0.619  0.143  1.0
  Al  Al16  1  0.143  0.619  0.619  1.0
  Al  Al17  1  0.619  0.143  0.619  1.0
  Al  Al18  1  0.381  0.381  0.381  1.0
  Al  Al19  1  0.381  0.381  0.857  1.0
  Al  Al20  1  0.381  0.857  0.381  1.0
  Al  Al21  1  0.857  0.381  0.381  1.0
  Ni  Ni22  1  0.000  0.500  0.500  1.0
  Ni  Ni23  1  0.500  0.000  1.000  1.0
  Ni  Ni24  1  0.500  0.000  0.500  1.0
  Ni  Ni25  1  0.500  0.500  1.000  1.0
  Ni  Ni26  1  1.000  0.500  0.000  1.0
  Ni  Ni27  1  0.000  1.000  0.500  1.0
  Ni  Ni28  1  0.500  0.500  0.500  1.0
[/CIF]
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