The crystal structure described by Hf9Ni11 crystallizes in the tetragonal I4/m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1) and eight equivalent Ni(3) atoms. In the second Hf site, Hf(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Ni(3) atoms. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to one Ni(1), two equivalent Ni(2), and six equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to two equivalent Hf(1) and four equivalent Hf(3) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Hf(2) and four equivalent Hf(3) atoms. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Hf(1), three equivalent Hf(2), and three equivalent Hf(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf9Ni11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   7.696
_cell_length_c   7.696
_cell_angle_alpha   80.109
_cell_angle_beta   65.515
_cell_angle_gamma   65.515
_symmetry_Int_Tables_number   1
_cell_volume   312.878
_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  0.000  0.000  0.000  1.0
  Hf  Hf1  1  0.691  0.402  0.217  1.0
  Hf  Hf2  1  0.309  0.598  0.783  1.0
  Hf  Hf3  1  0.093  0.217  0.598  1.0
  Hf  Hf4  1  0.907  0.783  0.402  1.0
  Hf  Hf5  1  0.756  0.656  0.831  1.0
  Hf  Hf6  1  0.244  0.344  0.169  1.0
  Hf  Hf7  1  0.412  0.831  0.344  1.0
  Hf  Hf8  1  0.588  0.169  0.656  1.0
  Ni  Ni9  1  0.500  0.000  0.000  1.0
  Ni  Ni10  1  0.250  0.500  0.500  1.0
  Ni  Ni11  1  0.750  0.500  0.500  1.0
  Ni  Ni12  1  0.675  0.336  0.894  1.0
  Ni  Ni13  1  0.906  0.664  0.106  1.0
  Ni  Ni14  1  0.011  0.894  0.664  1.0
  Ni  Ni15  1  0.569  0.106  0.336  1.0
  Ni  Ni16  1  0.325  0.664  0.106  1.0
  Ni  Ni17  1  0.094  0.336  0.894  1.0
  Ni  Ni18  1  0.989  0.106  0.336  1.0
  Ni  Ni19  1  0.431  0.894  0.664  1.0
[/CIF]
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The crystal structure described by Hf9Ni11 crystallizes in the tetragonal I4/m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1) and eight equivalent Ni(3) atoms. In the second Hf site, Hf(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Ni(3) atoms. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to one Ni(1), two equivalent Ni(2), and six equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to two equivalent Hf(1) and four equivalent Hf(3) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Hf(2) and four equivalent Hf(3) atoms. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Hf(1), three equivalent Hf(2), and three equivalent Hf(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf9Ni11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   7.696
_cell_length_c   7.696
_cell_angle_alpha   80.109
_cell_angle_beta   65.515
_cell_angle_gamma   65.515
_symmetry_Int_Tables_number   1
_cell_volume   312.878
_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  0.000  0.000  0.000  1.0
  Hf  Hf1  1  0.691  0.402  0.217  1.0
  Hf  Hf2  1  0.309  0.598  0.783  1.0
  Hf  Hf3  1  0.093  0.217  0.598  1.0
  Hf  Hf4  1  0.907  0.783  0.402  1.0
  Hf  Hf5  1  0.756  0.656  0.831  1.0
  Hf  Hf6  1  0.244  0.344  0.169  1.0
  Hf  Hf7  1  0.412  0.831  0.344  1.0
  Hf  Hf8  1  0.588  0.169  0.656  1.0
  Ni  Ni9  1  0.500  0.000  0.000  1.0
  Ni  Ni10  1  0.250  0.500  0.500  1.0
  Ni  Ni11  1  0.750  0.500  0.500  1.0
  Ni  Ni12  1  0.675  0.336  0.894  1.0
  Ni  Ni13  1  0.906  0.664  0.106  1.0
  Ni  Ni14  1  0.011  0.894  0.664  1.0
  Ni  Ni15  1  0.569  0.106  0.336  1.0
  Ni  Ni16  1  0.325  0.664  0.106  1.0
  Ni  Ni17  1  0.094  0.336  0.894  1.0
  Ni  Ni18  1  0.989  0.106  0.336  1.0
  Ni  Ni19  1  0.431  0.894  0.664  1.0
[/CIF]
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