The crystal structure described by Al2BiS4 crystallizes in the tetragonal P4/nnc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent S(1) atoms to form edge-sharing AlS4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent S(1) atoms to form edge-sharing AlS4 tetrahedra. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent S(1) atoms. S(1) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Al2BiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.608
_cell_length_b   7.608
_cell_length_c   11.924
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.128
_cell_formula_units_Z   4
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  0.000  0.500  0.750  1.0
  Al  Al1  1  0.000  0.500  0.000  1.0
  Al  Al2  1  0.000  0.500  0.250  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.500  0.000  0.250  1.0
  Al  Al5  1  0.500  0.000  0.750  1.0
  Al  Al6  1  0.000  0.500  0.500  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  Bi  Bi8  1  0.500  0.500  0.632  1.0
  Bi  Bi9  1  0.000  0.000  0.868  1.0
  Bi  Bi10  1  0.500  0.500  0.368  1.0
  Bi  Bi11  1  0.000  0.000  0.132  1.0
  S  S12  1  0.844  0.340  0.875  1.0
  S  S13  1  0.656  0.840  0.375  1.0
  S  S14  1  0.340  0.844  0.125  1.0
  S  S15  1  0.840  0.656  0.625  1.0
  S  S16  1  0.344  0.160  0.375  1.0
  S  S17  1  0.156  0.660  0.875  1.0
  S  S18  1  0.840  0.344  0.375  1.0
  S  S19  1  0.660  0.156  0.125  1.0
  S  S20  1  0.656  0.160  0.625  1.0
  S  S21  1  0.160  0.344  0.625  1.0
  S  S22  1  0.660  0.844  0.875  1.0
  S  S23  1  0.340  0.156  0.875  1.0
  S  S24  1  0.160  0.656  0.375  1.0
  S  S25  1  0.156  0.340  0.125  1.0
  S  S26  1  0.844  0.660  0.125  1.0
  S  S27  1  0.344  0.840  0.625  1.0
[/CIF]
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The crystal structure described by Al2BiS4 crystallizes in the tetragonal P4/nnc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent S(1) atoms to form edge-sharing AlS4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent S(1) atoms to form edge-sharing AlS4 tetrahedra. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent S(1) atoms. S(1) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Al2BiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.608
_cell_length_b   7.608
_cell_length_c   11.924
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.128
_cell_formula_units_Z   4
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  0.000  0.500  0.750  1.0
  Al  Al1  1  0.000  0.500  0.000  1.0
  Al  Al2  1  0.000  0.500  0.250  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.500  0.000  0.250  1.0
  Al  Al5  1  0.500  0.000  0.750  1.0
  Al  Al6  1  0.000  0.500  0.500  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  Bi  Bi8  1  0.500  0.500  0.632  1.0
  Bi  Bi9  1  0.000  0.000  0.868  1.0
  Bi  Bi10  1  0.500  0.500  0.368  1.0
  Bi  Bi11  1  0.000  0.000  0.132  1.0
  S  S12  1  0.844  0.340  0.875  1.0
  S  S13  1  0.656  0.840  0.375  1.0
  S  S14  1  0.340  0.844  0.125  1.0
  S  S15  1  0.840  0.656  0.625  1.0
  S  S16  1  0.344  0.160  0.375  1.0
  S  S17  1  0.156  0.660  0.875  1.0
  S  S18  1  0.840  0.344  0.375  1.0
  S  S19  1  0.660  0.156  0.125  1.0
  S  S20  1  0.656  0.160  0.625  1.0
  S  S21  1  0.160  0.344  0.625  1.0
  S  S22  1  0.660  0.844  0.875  1.0
  S  S23  1  0.340  0.156  0.875  1.0
  S  S24  1  0.160  0.656  0.375  1.0
  S  S25  1  0.156  0.340  0.125  1.0
  S  S26  1  0.844  0.660  0.125  1.0
  S  S27  1  0.344  0.840  0.625  1.0
[/CIF]
.