The compound described by ZnAl2S4 crystallizes in the tetragonal I-4 space group. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 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 Zn(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 Zn(1)S4 tetrahedra and corners with four equivalent Al(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Al2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   6.395
_cell_angle_alpha   130.980
_cell_angle_beta   130.980
_cell_angle_gamma   71.845
_symmetry_Int_Tables_number   1
_cell_volume   145.802
_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  0.500  0.500  0.000  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.128  0.127  0.513  1.0
  S  S4  1  0.614  0.614  0.487  1.0
  S  S5  1  0.386  0.872  1.000  1.0
  S  S6  1  0.873  0.386  0.000  1.0
[/CIF]
.
The compound described by ZnAl2S4 crystallizes in the tetragonal I-4 space group. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 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 Zn(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 Zn(1)S4 tetrahedra and corners with four equivalent Al(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Al2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   6.395
_cell_angle_alpha   130.980
_cell_angle_beta   130.980
_cell_angle_gamma   71.845
_symmetry_Int_Tables_number   1
_cell_volume   145.802
_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  0.500  0.500  0.000  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.128  0.127  0.513  1.0
  S  S4  1  0.614  0.614  0.487  1.0
  S  S5  1  0.386  0.872  1.000  1.0
  S  S6  1  0.873  0.386  0.000  1.0
[/CIF]
.