The crystal structure described by Hf4AlSi is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. Hf(1) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Si(1) atoms. Al(1) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Si(1) atoms. Si(1) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Hf4AlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   5.382
_cell_angle_alpha   103.572
_cell_angle_beta   103.572
_cell_angle_gamma   122.050
_symmetry_Int_Tables_number   1
_cell_volume   115.618
_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
  Hf  Hf0  1  0.404  0.904  0.808  1.0
  Hf  Hf1  1  0.096  0.596  0.192  1.0
  Hf  Hf2  1  0.596  0.404  0.500  1.0
  Hf  Hf3  1  0.904  0.096  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Hf4AlSi is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. Hf(1) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Si(1) atoms. Al(1) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Si(1) atoms. Si(1) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Hf4AlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   5.382
_cell_angle_alpha   103.572
_cell_angle_beta   103.572
_cell_angle_gamma   122.050
_symmetry_Int_Tables_number   1
_cell_volume   115.618
_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
  Hf  Hf0  1  0.404  0.904  0.808  1.0
  Hf  Hf1  1  0.096  0.596  0.192  1.0
  Hf  Hf2  1  0.596  0.404  0.500  1.0
  Hf  Hf3  1  0.904  0.096  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
[/CIF]
.