The compound described by CeAlSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Ce(1) is bonded to six equivalent Al(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeAl6Si6 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Ce(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 Ce(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Ce(1) and three Al(1,1) atoms. is represented by the CIF file [CIF]
data_CeAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.934
_cell_length_b   7.934
_cell_length_c   7.934
_cell_angle_alpha   149.050
_cell_angle_beta   149.049
_cell_angle_gamma   44.339
_symmetry_Int_Tables_number   1
_cell_volume   131.714
_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
  Ce  Ce0  1  0.582  0.582  0.000  1.0
  Ce  Ce1  1  0.332  0.832  0.500  1.0
  Al  Al2  1  0.165  0.165  0.000  1.0
  Al  Al3  1  0.915  0.415  0.500  1.0
  Si  Si4  1  1.000  1.000  0.000  1.0
  Si  Si5  1  0.750  0.250  0.500  1.0
[/CIF]
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The compound described by CeAlSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Ce(1) is bonded to six equivalent Al(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeAl6Si6 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Ce(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 Ce(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Ce(1) and three Al(1,1) atoms. is represented by the CIF file [CIF]
data_CeAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.934
_cell_length_b   7.934
_cell_length_c   7.934
_cell_angle_alpha   149.050
_cell_angle_beta   149.049
_cell_angle_gamma   44.339
_symmetry_Int_Tables_number   1
_cell_volume   131.714
_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
  Ce  Ce0  1  0.582  0.582  0.000  1.0
  Ce  Ce1  1  0.332  0.832  0.500  1.0
  Al  Al2  1  0.165  0.165  0.000  1.0
  Al  Al3  1  0.915  0.415  0.500  1.0
  Si  Si4  1  1.000  1.000  0.000  1.0
  Si  Si5  1  0.750  0.250  0.500  1.0
[/CIF]
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