The compound described by CdAl2S4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with four equivalent Al(2)S4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with four equivalent Al(2)S4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with four equivalent Al(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Al2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   5.590
_cell_length_c   6.441
_cell_angle_alpha   115.714
_cell_angle_beta   115.720
_cell_angle_gamma   89.991
_symmetry_Int_Tables_number   1
_cell_volume   158.914
_cell_formula_units_Z   1
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
  Al  Al0  1  0.250  0.750  0.500  1.0
  Al  Al1  1  1.000  0.000  1.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  S  S3  1  0.914  0.899  0.269  1.0
  S  S4  1  0.354  0.370  0.269  1.0
  S  S5  1  0.101  0.646  0.731  1.0
  S  S6  1  0.630  0.086  0.731  1.0
[/CIF]
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The compound described by CdAl2S4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with four equivalent Al(2)S4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with four equivalent Al(2)S4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with four equivalent Al(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Al2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   5.590
_cell_length_c   6.441
_cell_angle_alpha   115.714
_cell_angle_beta   115.720
_cell_angle_gamma   89.991
_symmetry_Int_Tables_number   1
_cell_volume   158.914
_cell_formula_units_Z   1
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
  Al  Al0  1  0.250  0.750  0.500  1.0
  Al  Al1  1  1.000  0.000  1.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  S  S3  1  0.914  0.899  0.269  1.0
  S  S4  1  0.354  0.370  0.269  1.0
  S  S5  1  0.101  0.646  0.731  1.0
  S  S6  1  0.630  0.086  0.731  1.0
[/CIF]
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