The compound described by YbNiAl crystallizes in the hexagonal P-62m space group. Yb(1) is bonded in a 11-coordinate geometry to one Ni(2), four equivalent Ni(1), and six equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a distorted q6 geometry to three equivalent Yb(1) and six equivalent Al(1) atoms. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent Yb(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Yb(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_YbAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.121
_cell_length_b   6.743
_cell_length_c   6.743
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.263
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.500  0.582  0.582  1.0
  Yb  Yb1  1  0.500  0.000  0.418  1.0
  Yb  Yb2  1  0.500  0.418  0.000  1.0
  Al  Al3  1  0.000  0.235  0.235  1.0
  Al  Al4  1  0.000  0.000  0.765  1.0
  Al  Al5  1  0.000  0.765  0.000  1.0
  Ni  Ni6  1  0.000  0.667  0.333  1.0
  Ni  Ni7  1  0.000  0.333  0.667  1.0
  Ni  Ni8  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by YbNiAl crystallizes in the hexagonal P-62m space group. Yb(1) is bonded in a 11-coordinate geometry to one Ni(2), four equivalent Ni(1), and six equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a distorted q6 geometry to three equivalent Yb(1) and six equivalent Al(1) atoms. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent Yb(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Yb(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_YbAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.121
_cell_length_b   6.743
_cell_length_c   6.743
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.263
_cell_formula_units_Z   3
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
  Yb  Yb0  1  0.500  0.582  0.582  1.0
  Yb  Yb1  1  0.500  0.000  0.418  1.0
  Yb  Yb2  1  0.500  0.418  0.000  1.0
  Al  Al3  1  0.000  0.235  0.235  1.0
  Al  Al4  1  0.000  0.000  0.765  1.0
  Al  Al5  1  0.000  0.765  0.000  1.0
  Ni  Ni6  1  0.000  0.667  0.333  1.0
  Ni  Ni7  1  0.000  0.333  0.667  1.0
  Ni  Ni8  1  0.500  0.000  0.000  1.0
[/CIF]
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