The structure described by GdAlSi crystallizes in the tetragonal I4_1md space group. Gd(1) is bonded to six Al(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing GdAl6Si6 cuboctahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. In the third Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. In the fourth Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three Al(1,1) atoms. is represented by the CIF file [CIF]
data_GdAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.787
_cell_length_b   7.787
_cell_length_c   7.787
_cell_angle_alpha   149.193
_cell_angle_beta   149.192
_cell_angle_gamma   44.128
_symmetry_Int_Tables_number   1
_cell_volume   123.489
_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  0.126  0.626  0.500  1.0
  Gd  Gd1  1  0.376  0.376  0.000  1.0
  Al  Al2  1  0.792  0.792  0.000  1.0
  Al  Al3  1  0.542  0.042  0.500  1.0
  Si  Si4  1  0.707  0.207  0.500  1.0
  Si  Si5  1  0.957  0.957  0.000  1.0
[/CIF]
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The structure described by GdAlSi crystallizes in the tetragonal I4_1md space group. Gd(1) is bonded to six Al(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing GdAl6Si6 cuboctahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. In the third Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. In the fourth Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Gd(1) and three Al(1,1) atoms. is represented by the CIF file [CIF]
data_GdAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.787
_cell_length_b   7.787
_cell_length_c   7.787
_cell_angle_alpha   149.193
_cell_angle_beta   149.192
_cell_angle_gamma   44.128
_symmetry_Int_Tables_number   1
_cell_volume   123.489
_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  0.126  0.626  0.500  1.0
  Gd  Gd1  1  0.376  0.376  0.000  1.0
  Al  Al2  1  0.792  0.792  0.000  1.0
  Al  Al3  1  0.542  0.042  0.500  1.0
  Si  Si4  1  0.707  0.207  0.500  1.0
  Si  Si5  1  0.957  0.957  0.000  1.0
[/CIF]
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