The compound described by AlNSBr3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AlNSBr3 clusters. Al(1) is bonded in a tetrahedral geometry to one N(1), one Br(1), one Br(2), and one Br(3) atom. N(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent S(1) atoms. S(1) is bonded in an L-shaped geometry to two equivalent N(1) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Al(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Al(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Al(1) atom. is represented by the CIF file [CIF]
data_AlSBr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.842
_cell_length_b   7.553
_cell_length_c   10.224
_cell_angle_alpha   67.553
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   773.821
_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  0.377  0.726  0.658  1.0
  Al  Al1  1  0.623  0.274  0.342  1.0
  Al  Al2  1  0.877  0.274  0.842  1.0
  Al  Al3  1  0.123  0.726  0.158  1.0
  S  S4  1  0.972  0.638  0.891  1.0
  S  S5  1  0.028  0.362  0.109  1.0
  S  S6  1  0.472  0.362  0.609  1.0
  S  S7  1  0.528  0.638  0.391  1.0
  Br  Br8  1  0.479  0.086  0.291  1.0
  Br  Br9  1  0.021  0.086  0.791  1.0
  Br  Br10  1  0.346  0.436  0.847  1.0
  Br  Br11  1  0.521  0.914  0.709  1.0
  Br  Br12  1  0.979  0.914  0.209  1.0
  Br  Br13  1  0.802  0.133  0.446  1.0
  Br  Br14  1  0.846  0.564  0.653  1.0
  Br  Br15  1  0.302  0.867  0.054  1.0
  Br  Br16  1  0.654  0.564  0.153  1.0
  Br  Br17  1  0.154  0.436  0.347  1.0
  Br  Br18  1  0.198  0.867  0.554  1.0
  Br  Br19  1  0.698  0.133  0.946  1.0
  N  N20  1  0.542  0.401  0.454  1.0
  N  N21  1  0.958  0.401  0.954  1.0
  N  N22  1  0.042  0.599  0.046  1.0
  N  N23  1  0.458  0.599  0.546  1.0
[/CIF]
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The compound described by AlNSBr3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AlNSBr3 clusters. Al(1) is bonded in a tetrahedral geometry to one N(1), one Br(1), one Br(2), and one Br(3) atom. N(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent S(1) atoms. S(1) is bonded in an L-shaped geometry to two equivalent N(1) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Al(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Al(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Al(1) atom. is represented by the CIF file [CIF]
data_AlSBr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.842
_cell_length_b   7.553
_cell_length_c   10.224
_cell_angle_alpha   67.553
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   773.821
_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  0.377  0.726  0.658  1.0
  Al  Al1  1  0.623  0.274  0.342  1.0
  Al  Al2  1  0.877  0.274  0.842  1.0
  Al  Al3  1  0.123  0.726  0.158  1.0
  S  S4  1  0.972  0.638  0.891  1.0
  S  S5  1  0.028  0.362  0.109  1.0
  S  S6  1  0.472  0.362  0.609  1.0
  S  S7  1  0.528  0.638  0.391  1.0
  Br  Br8  1  0.479  0.086  0.291  1.0
  Br  Br9  1  0.021  0.086  0.791  1.0
  Br  Br10  1  0.346  0.436  0.847  1.0
  Br  Br11  1  0.521  0.914  0.709  1.0
  Br  Br12  1  0.979  0.914  0.209  1.0
  Br  Br13  1  0.802  0.133  0.446  1.0
  Br  Br14  1  0.846  0.564  0.653  1.0
  Br  Br15  1  0.302  0.867  0.054  1.0
  Br  Br16  1  0.654  0.564  0.153  1.0
  Br  Br17  1  0.154  0.436  0.347  1.0
  Br  Br18  1  0.198  0.867  0.554  1.0
  Br  Br19  1  0.698  0.133  0.946  1.0
  N  N20  1  0.542  0.401  0.454  1.0
  N  N21  1  0.958  0.401  0.954  1.0
  N  N22  1  0.042  0.599  0.046  1.0
  N  N23  1  0.458  0.599  0.546  1.0
[/CIF]
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