The structure described by ZnAl2(SeS)2 crystallizes in the monoclinic C2 space group. Zn(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent Al(1)Se2S2 tetrahedra and corners with four equivalent Al(2)Se2S2 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form AlSe2S2 tetrahedra that share corners with four equivalent Zn(1)Se2S2 tetrahedra and corners with four equivalent Al(2)Se2S2 tetrahedra. In the second Al site, Al(2) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form AlSe2S2 tetrahedra that share corners with four equivalent Zn(1)Se2S2 tetrahedra and corners with four equivalent Al(1)Se2S2 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Al(1), and one Al(2) atom. 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 file [CIF]
data_Al2Zn(SeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.492
_cell_length_c   6.640
_cell_angle_alpha   64.887
_cell_angle_beta   64.738
_cell_angle_gamma   88.508
_symmetry_Int_Tables_number   1
_cell_volume   161.988
_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  0.505  0.505  0.990  1.0
  Al  Al1  1  0.745  0.245  0.511  1.0
  Zn  Zn2  1  0.004  0.004  0.992  1.0
  Se  Se3  1  0.600  0.625  0.263  1.0
  Se  Se4  1  0.137  0.112  0.263  1.0
  S  S5  1  0.866  0.381  0.740  1.0
  S  S6  1  0.393  0.878  0.740  1.0
[/CIF]
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The structure described by ZnAl2(SeS)2 crystallizes in the monoclinic C2 space group. Zn(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent Al(1)Se2S2 tetrahedra and corners with four equivalent Al(2)Se2S2 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form AlSe2S2 tetrahedra that share corners with four equivalent Zn(1)Se2S2 tetrahedra and corners with four equivalent Al(2)Se2S2 tetrahedra. In the second Al site, Al(2) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form AlSe2S2 tetrahedra that share corners with four equivalent Zn(1)Se2S2 tetrahedra and corners with four equivalent Al(1)Se2S2 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Al(1), and one Al(2) atom. 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 file [CIF]
data_Al2Zn(SeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.492
_cell_length_c   6.640
_cell_angle_alpha   64.887
_cell_angle_beta   64.738
_cell_angle_gamma   88.508
_symmetry_Int_Tables_number   1
_cell_volume   161.988
_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  0.505  0.505  0.990  1.0
  Al  Al1  1  0.745  0.245  0.511  1.0
  Zn  Zn2  1  0.004  0.004  0.992  1.0
  Se  Se3  1  0.600  0.625  0.263  1.0
  Se  Se4  1  0.137  0.112  0.263  1.0
  S  S5  1  0.866  0.381  0.740  1.0
  S  S6  1  0.393  0.878  0.740  1.0
[/CIF]
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