The crystal structure described by Gd3Ni6Al2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Al(1) atoms. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to two equivalent Ni(1), six equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), four equivalent Ni(2), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Gd(1), three equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms. Al(1) is bonded in a distorted hexagonal planar geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Gd3(AlNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.716
_cell_length_b   7.716
_cell_length_c   7.716
_cell_angle_alpha   109.444
_cell_angle_beta   109.444
_cell_angle_gamma   109.525
_symmetry_Int_Tables_number   1
_cell_volume   353.584
_cell_formula_units_Z   2
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  0.295  0.295  1.000  1.0
  Gd  Gd1  1  0.000  0.293  0.293  1.0
  Gd  Gd2  1  0.000  0.707  0.707  1.0
  Gd  Gd3  1  0.707  0.000  0.707  1.0
  Gd  Gd4  1  0.705  0.705  1.000  1.0
  Gd  Gd5  1  0.293  0.000  0.293  1.0
  Al  Al6  1  0.000  1.000  0.500  1.0
  Al  Al7  1  0.500  0.000  1.000  1.0
  Al  Al8  1  1.000  0.500  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.334  0.666  1.000  1.0
  Ni  Ni11  1  1.000  0.666  0.333  1.0
  Ni  Ni12  1  0.334  0.000  0.667  1.0
  Ni  Ni13  1  0.666  1.000  0.333  1.0
  Ni  Ni14  1  0.666  0.333  0.667  1.0
  Ni  Ni15  1  0.666  0.334  1.000  1.0
  Ni  Ni16  1  0.334  0.667  0.333  1.0
  Ni  Ni17  1  0.000  0.334  0.667  1.0
  Ni  Ni18  1  0.334  0.334  0.669  1.0
  Ni  Ni19  1  0.667  0.334  0.333  1.0
  Ni  Ni20  1  0.666  0.666  0.331  1.0
  Ni  Ni21  1  0.333  0.666  0.667  1.0
[/CIF]
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The crystal structure described by Gd3Ni6Al2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Al(1) atoms. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to two equivalent Ni(1), six equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), four equivalent Ni(2), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Gd(1), three equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms. Al(1) is bonded in a distorted hexagonal planar geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Gd3(AlNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.716
_cell_length_b   7.716
_cell_length_c   7.716
_cell_angle_alpha   109.444
_cell_angle_beta   109.444
_cell_angle_gamma   109.525
_symmetry_Int_Tables_number   1
_cell_volume   353.584
_cell_formula_units_Z   2
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  0.295  0.295  1.000  1.0
  Gd  Gd1  1  0.000  0.293  0.293  1.0
  Gd  Gd2  1  0.000  0.707  0.707  1.0
  Gd  Gd3  1  0.707  0.000  0.707  1.0
  Gd  Gd4  1  0.705  0.705  1.000  1.0
  Gd  Gd5  1  0.293  0.000  0.293  1.0
  Al  Al6  1  0.000  1.000  0.500  1.0
  Al  Al7  1  0.500  0.000  1.000  1.0
  Al  Al8  1  1.000  0.500  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.334  0.666  1.000  1.0
  Ni  Ni11  1  1.000  0.666  0.333  1.0
  Ni  Ni12  1  0.334  0.000  0.667  1.0
  Ni  Ni13  1  0.666  1.000  0.333  1.0
  Ni  Ni14  1  0.666  0.333  0.667  1.0
  Ni  Ni15  1  0.666  0.334  1.000  1.0
  Ni  Ni16  1  0.334  0.667  0.333  1.0
  Ni  Ni17  1  0.000  0.334  0.667  1.0
  Ni  Ni18  1  0.334  0.334  0.669  1.0
  Ni  Ni19  1  0.667  0.334  0.333  1.0
  Ni  Ni20  1  0.666  0.666  0.331  1.0
  Ni  Ni21  1  0.333  0.666  0.667  1.0
[/CIF]
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