The crystal structure described by Ce3CdAlS7 crystallizes in the hexagonal P6_3 space group. Ce(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Cd(1) is bonded to six equivalent S(1) atoms to form face-sharing CdS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Ce(1) and two equivalent Cd(1) atoms to form distorted SCe4Cd2 pentagonal pyramids that share corners with four equivalent S(1)Ce4Cd2 pentagonal pyramids, corners with four equivalent S(3)Ce3Al tetrahedra, and faces with six equivalent S(1)Ce4Cd2 pentagonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ce(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent Ce(1) and one Al(1) atom to form corner-sharing SCe3Al tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3AlCdS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.227
_cell_length_b   10.227
_cell_length_c   6.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   550.078
_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  0.626  0.868  0.263  1.0
  Ce  Ce1  1  0.132  0.758  0.263  1.0
  Ce  Ce2  1  0.242  0.374  0.263  1.0
  Ce  Ce3  1  0.374  0.132  0.763  1.0
  Ce  Ce4  1  0.868  0.242  0.763  1.0
  Ce  Ce5  1  0.758  0.626  0.763  1.0
  Al  Al6  1  0.333  0.667  0.842  1.0
  Al  Al7  1  0.667  0.333  0.342  1.0
  Cd  Cd8  1  0.000  0.000  0.502  1.0
  Cd  Cd9  1  0.000  0.000  0.002  1.0
  S  S10  1  0.747  0.911  0.742  1.0
  S  S11  1  0.089  0.837  0.742  1.0
  S  S12  1  0.163  0.253  0.742  1.0
  S  S13  1  0.253  0.089  0.242  1.0
  S  S14  1  0.911  0.163  0.242  1.0
  S  S15  1  0.837  0.747  0.242  1.0
  S  S16  1  0.484  0.587  0.996  1.0
  S  S17  1  0.413  0.897  0.996  1.0
  S  S18  1  0.103  0.516  0.996  1.0
  S  S19  1  0.516  0.413  0.496  1.0
  S  S20  1  0.587  0.103  0.496  1.0
  S  S21  1  0.897  0.484  0.496  1.0
  S  S22  1  0.333  0.667  0.473  1.0
  S  S23  1  0.667  0.333  0.973  1.0
[/CIF]
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The crystal structure described by Ce3CdAlS7 crystallizes in the hexagonal P6_3 space group. Ce(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Cd(1) is bonded to six equivalent S(1) atoms to form face-sharing CdS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Ce(1) and two equivalent Cd(1) atoms to form distorted SCe4Cd2 pentagonal pyramids that share corners with four equivalent S(1)Ce4Cd2 pentagonal pyramids, corners with four equivalent S(3)Ce3Al tetrahedra, and faces with six equivalent S(1)Ce4Cd2 pentagonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ce(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent Ce(1) and one Al(1) atom to form corner-sharing SCe3Al tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3AlCdS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.227
_cell_length_b   10.227
_cell_length_c   6.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   550.078
_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  0.626  0.868  0.263  1.0
  Ce  Ce1  1  0.132  0.758  0.263  1.0
  Ce  Ce2  1  0.242  0.374  0.263  1.0
  Ce  Ce3  1  0.374  0.132  0.763  1.0
  Ce  Ce4  1  0.868  0.242  0.763  1.0
  Ce  Ce5  1  0.758  0.626  0.763  1.0
  Al  Al6  1  0.333  0.667  0.842  1.0
  Al  Al7  1  0.667  0.333  0.342  1.0
  Cd  Cd8  1  0.000  0.000  0.502  1.0
  Cd  Cd9  1  0.000  0.000  0.002  1.0
  S  S10  1  0.747  0.911  0.742  1.0
  S  S11  1  0.089  0.837  0.742  1.0
  S  S12  1  0.163  0.253  0.742  1.0
  S  S13  1  0.253  0.089  0.242  1.0
  S  S14  1  0.911  0.163  0.242  1.0
  S  S15  1  0.837  0.747  0.242  1.0
  S  S16  1  0.484  0.587  0.996  1.0
  S  S17  1  0.413  0.897  0.996  1.0
  S  S18  1  0.103  0.516  0.996  1.0
  S  S19  1  0.516  0.413  0.496  1.0
  S  S20  1  0.587  0.103  0.496  1.0
  S  S21  1  0.897  0.484  0.496  1.0
  S  S22  1  0.333  0.667  0.473  1.0
  S  S23  1  0.667  0.333  0.973  1.0
[/CIF]
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