The compound described by AgAlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with eight equivalent Al(1)S4 tetrahedra. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with eight equivalent Ag(1)S4 tetrahedra. S(1) is bonded to two equivalent Ag(1) and two equivalent Al(1) atoms to form corner-sharing SAl2Ag2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.702
_cell_length_b   5.702
_cell_length_c   6.588
_cell_angle_alpha   115.643
_cell_angle_beta   115.643
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.434
_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
  Al  Al0  1  0.500  0.500  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.830  0.875  0.250  1.0
  S  S5  1  0.625  0.170  0.750  1.0
  S  S6  1  0.420  0.375  0.250  1.0
  S  S7  1  0.125  0.580  0.750  1.0
[/CIF]
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The compound described by AgAlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with eight equivalent Al(1)S4 tetrahedra. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with eight equivalent Ag(1)S4 tetrahedra. S(1) is bonded to two equivalent Ag(1) and two equivalent Al(1) atoms to form corner-sharing SAl2Ag2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.702
_cell_length_b   5.702
_cell_length_c   6.588
_cell_angle_alpha   115.643
_cell_angle_beta   115.643
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.434
_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
  Al  Al0  1  0.500  0.500  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.830  0.875  0.250  1.0
  S  S5  1  0.625  0.170  0.750  1.0
  S  S6  1  0.420  0.375  0.250  1.0
  S  S7  1  0.125  0.580  0.750  1.0
[/CIF]
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