The material described by AlSBr3 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two AlSBr3 clusters. Al(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent Br(1) atoms. S(1) is bonded in a single-bond geometry to one Al(1) atom. Br(1) is bonded in a single-bond geometry to one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.935
_cell_length_b   7.935
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   379.935
_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  0.333  0.667  0.831  1.0
  Al  Al1  1  0.667  0.333  0.169  1.0
  S  S2  1  0.333  0.667  0.160  1.0
  S  S3  1  0.667  0.333  0.840  1.0
  Br  Br4  1  0.171  0.343  0.748  1.0
  Br  Br5  1  0.171  0.829  0.748  1.0
  Br  Br6  1  0.657  0.829  0.748  1.0
  Br  Br7  1  0.829  0.657  0.252  1.0
  Br  Br8  1  0.829  0.171  0.252  1.0
  Br  Br9  1  0.343  0.171  0.252  1.0
[/CIF]
.
The material described by AlSBr3 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two AlSBr3 clusters. Al(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent Br(1) atoms. S(1) is bonded in a single-bond geometry to one Al(1) atom. Br(1) is bonded in a single-bond geometry to one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.935
_cell_length_b   7.935
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   379.935
_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  0.333  0.667  0.831  1.0
  Al  Al1  1  0.667  0.333  0.169  1.0
  S  S2  1  0.333  0.667  0.160  1.0
  S  S3  1  0.667  0.333  0.840  1.0
  Br  Br4  1  0.171  0.343  0.748  1.0
  Br  Br5  1  0.171  0.829  0.748  1.0
  Br  Br6  1  0.657  0.829  0.748  1.0
  Br  Br7  1  0.829  0.657  0.252  1.0
  Br  Br8  1  0.829  0.171  0.252  1.0
  Br  Br9  1  0.343  0.171  0.252  1.0
[/CIF]
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