The material described by GdNiAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 11-coordinate geometry to one Ni(1), four equivalent Ni(2), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Gd site, Gd(2) is bonded in a 11-coordinate geometry to one Ni(1), four equivalent Ni(2), two equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Gd(1), two equivalent Gd(2), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four equivalent Gd(2), one Al(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_GdAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   6.971
_cell_length_c   6.977
_cell_angle_alpha   119.975
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.427
_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
  Gd  Gd0  1  0.500  0.581  0.000  1.0
  Gd  Gd1  1  0.500  0.419  0.419  1.0
  Gd  Gd2  1  0.500  1.000  0.581  1.0
  Al  Al3  1  0.000  0.231  0.000  1.0
  Al  Al4  1  0.000  0.769  0.769  1.0
  Al  Al5  1  0.000  1.000  0.231  1.0
  Ni  Ni6  1  0.500  0.001  0.000  1.0
  Ni  Ni7  1  0.000  0.333  0.666  1.0
  Ni  Ni8  1  0.000  0.667  0.334  1.0
[/CIF]
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The material described by GdNiAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 11-coordinate geometry to one Ni(1), four equivalent Ni(2), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Gd site, Gd(2) is bonded in a 11-coordinate geometry to one Ni(1), four equivalent Ni(2), two equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Gd(1), two equivalent Gd(2), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four equivalent Gd(2), one Al(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_GdAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   6.971
_cell_length_c   6.977
_cell_angle_alpha   119.975
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.427
_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
  Gd  Gd0  1  0.500  0.581  0.000  1.0
  Gd  Gd1  1  0.500  0.419  0.419  1.0
  Gd  Gd2  1  0.500  1.000  0.581  1.0
  Al  Al3  1  0.000  0.231  0.000  1.0
  Al  Al4  1  0.000  0.769  0.769  1.0
  Al  Al5  1  0.000  1.000  0.231  1.0
  Ni  Ni6  1  0.500  0.001  0.000  1.0
  Ni  Ni7  1  0.000  0.333  0.666  1.0
  Ni  Ni8  1  0.000  0.667  0.334  1.0
[/CIF]
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