The material structure described by YNiAl3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 15-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), three equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Al(2), two equivalent Al(3), and three equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), two equivalent Al(1), and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YAl3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.027
_cell_length_b   8.110
_cell_length_c   10.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.448
_cell_formula_units_Z   4
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  0.250  0.187  0.991  1.0
  Y  Y1  1  0.750  0.313  0.491  1.0
  Y  Y2  1  0.250  0.687  0.509  1.0
  Y  Y3  1  0.750  0.813  0.009  1.0
  Al  Al4  1  0.750  0.446  0.917  1.0
  Al  Al5  1  0.250  0.554  0.083  1.0
  Al  Al6  1  0.750  0.946  0.583  1.0
  Al  Al7  1  0.250  0.054  0.417  1.0
  Al  Al8  1  0.750  0.615  0.284  1.0
  Al  Al9  1  0.250  0.885  0.784  1.0
  Al  Al10  1  0.750  0.115  0.216  1.0
  Al  Al11  1  0.250  0.357  0.277  1.0
  Al  Al12  1  0.750  0.643  0.723  1.0
  Al  Al13  1  0.250  0.857  0.223  1.0
  Al  Al14  1  0.250  0.385  0.716  1.0
  Al  Al15  1  0.750  0.143  0.777  1.0
  Ni  Ni16  1  0.750  0.893  0.357  1.0
  Ni  Ni17  1  0.750  0.393  0.143  1.0
  Ni  Ni18  1  0.250  0.607  0.857  1.0
  Ni  Ni19  1  0.250  0.107  0.643  1.0
[/CIF]
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The material structure described by YNiAl3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 15-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), three equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Al(2), two equivalent Al(3), and three equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), two equivalent Al(1), and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YAl3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.027
_cell_length_b   8.110
_cell_length_c   10.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.448
_cell_formula_units_Z   4
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  0.250  0.187  0.991  1.0
  Y  Y1  1  0.750  0.313  0.491  1.0
  Y  Y2  1  0.250  0.687  0.509  1.0
  Y  Y3  1  0.750  0.813  0.009  1.0
  Al  Al4  1  0.750  0.446  0.917  1.0
  Al  Al5  1  0.250  0.554  0.083  1.0
  Al  Al6  1  0.750  0.946  0.583  1.0
  Al  Al7  1  0.250  0.054  0.417  1.0
  Al  Al8  1  0.750  0.615  0.284  1.0
  Al  Al9  1  0.250  0.885  0.784  1.0
  Al  Al10  1  0.750  0.115  0.216  1.0
  Al  Al11  1  0.250  0.357  0.277  1.0
  Al  Al12  1  0.750  0.643  0.723  1.0
  Al  Al13  1  0.250  0.857  0.223  1.0
  Al  Al14  1  0.250  0.385  0.716  1.0
  Al  Al15  1  0.750  0.143  0.777  1.0
  Ni  Ni16  1  0.750  0.893  0.357  1.0
  Ni  Ni17  1  0.750  0.393  0.143  1.0
  Ni  Ni18  1  0.250  0.607  0.857  1.0
  Ni  Ni19  1  0.250  0.107  0.643  1.0
[/CIF]
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