The material described by YNi2Al3 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Al(1), and six equivalent Al(2) atoms. In the second Y site, Y(2) is bonded in a hexagonal planar geometry to six equivalent Ni(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(1), two equivalent Al(2), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and four equivalent Ni(1) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to four equivalent Y(1) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_YAl3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.979
_cell_length_b   8.979
_cell_length_c   4.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.856
_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
  Y  Y0  1  0.333  0.667  0.500  1.0
  Y  Y1  1  0.667  0.333  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.000  0.297  0.500  1.0
  Al  Al4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
  Al  Al6  1  0.500  0.000  0.000  1.0
  Al  Al7  1  0.703  0.000  0.500  1.0
  Al  Al8  1  0.703  0.703  0.500  1.0
  Al  Al9  1  0.297  0.000  0.500  1.0
  Al  Al10  1  0.000  0.703  0.500  1.0
  Al  Al11  1  0.297  0.297  0.500  1.0
  Ni  Ni12  1  0.819  0.181  0.000  1.0
  Ni  Ni13  1  0.819  0.638  0.000  1.0
  Ni  Ni14  1  0.181  0.819  0.000  1.0
  Ni  Ni15  1  0.638  0.819  0.000  1.0
  Ni  Ni16  1  0.362  0.181  0.000  1.0
  Ni  Ni17  1  0.181  0.362  0.000  1.0
[/CIF]
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The material described by YNi2Al3 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Al(1), and six equivalent Al(2) atoms. In the second Y site, Y(2) is bonded in a hexagonal planar geometry to six equivalent Ni(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(1), two equivalent Al(2), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and four equivalent Ni(1) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to four equivalent Y(1) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_YAl3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.979
_cell_length_b   8.979
_cell_length_c   4.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.856
_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
  Y  Y0  1  0.333  0.667  0.500  1.0
  Y  Y1  1  0.667  0.333  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.000  0.297  0.500  1.0
  Al  Al4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
  Al  Al6  1  0.500  0.000  0.000  1.0
  Al  Al7  1  0.703  0.000  0.500  1.0
  Al  Al8  1  0.703  0.703  0.500  1.0
  Al  Al9  1  0.297  0.000  0.500  1.0
  Al  Al10  1  0.000  0.703  0.500  1.0
  Al  Al11  1  0.297  0.297  0.500  1.0
  Ni  Ni12  1  0.819  0.181  0.000  1.0
  Ni  Ni13  1  0.819  0.638  0.000  1.0
  Ni  Ni14  1  0.181  0.819  0.000  1.0
  Ni  Ni15  1  0.638  0.819  0.000  1.0
  Ni  Ni16  1  0.362  0.181  0.000  1.0
  Ni  Ni17  1  0.181  0.362  0.000  1.0
[/CIF]
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