The material described by AlNSeBr3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AlNSeBr3 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 Se(1) atoms. Se(1) is bonded in a distorted 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_AlSeBr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.858
_cell_length_b   7.685
_cell_length_c   10.355
_cell_angle_alpha   66.872
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   794.602
_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  0.875  0.770  0.848  1.0
  Al  Al1  1  0.375  0.230  0.652  1.0
  Al  Al2  1  0.625  0.770  0.348  1.0
  Al  Al3  1  0.125  0.230  0.152  1.0
  Se  Se4  1  0.532  0.151  0.378  1.0
  Se  Se5  1  0.468  0.849  0.622  1.0
  Se  Se6  1  0.968  0.151  0.878  1.0
  Se  Se7  1  0.032  0.849  0.122  1.0
  Br  Br8  1  0.340  0.947  0.848  1.0
  Br  Br9  1  0.306  0.374  0.056  1.0
  Br  Br10  1  0.019  0.587  0.793  1.0
  Br  Br11  1  0.806  0.626  0.444  1.0
  Br  Br12  1  0.660  0.053  0.152  1.0
  Br  Br13  1  0.519  0.413  0.707  1.0
  Br  Br14  1  0.194  0.374  0.556  1.0
  Br  Br15  1  0.694  0.626  0.944  1.0
  Br  Br16  1  0.981  0.413  0.207  1.0
  Br  Br17  1  0.840  0.053  0.652  1.0
  Br  Br18  1  0.160  0.947  0.348  1.0
  Br  Br19  1  0.481  0.587  0.293  1.0
  N  N20  1  0.046  0.106  0.046  1.0
  N  N21  1  0.454  0.106  0.546  1.0
  N  N22  1  0.546  0.894  0.454  1.0
  N  N23  1  0.954  0.894  0.954  1.0
[/CIF]
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The material described by AlNSeBr3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AlNSeBr3 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 Se(1) atoms. Se(1) is bonded in a distorted 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_AlSeBr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.858
_cell_length_b   7.685
_cell_length_c   10.355
_cell_angle_alpha   66.872
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   794.602
_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  0.875  0.770  0.848  1.0
  Al  Al1  1  0.375  0.230  0.652  1.0
  Al  Al2  1  0.625  0.770  0.348  1.0
  Al  Al3  1  0.125  0.230  0.152  1.0
  Se  Se4  1  0.532  0.151  0.378  1.0
  Se  Se5  1  0.468  0.849  0.622  1.0
  Se  Se6  1  0.968  0.151  0.878  1.0
  Se  Se7  1  0.032  0.849  0.122  1.0
  Br  Br8  1  0.340  0.947  0.848  1.0
  Br  Br9  1  0.306  0.374  0.056  1.0
  Br  Br10  1  0.019  0.587  0.793  1.0
  Br  Br11  1  0.806  0.626  0.444  1.0
  Br  Br12  1  0.660  0.053  0.152  1.0
  Br  Br13  1  0.519  0.413  0.707  1.0
  Br  Br14  1  0.194  0.374  0.556  1.0
  Br  Br15  1  0.694  0.626  0.944  1.0
  Br  Br16  1  0.981  0.413  0.207  1.0
  Br  Br17  1  0.840  0.053  0.652  1.0
  Br  Br18  1  0.160  0.947  0.348  1.0
  Br  Br19  1  0.481  0.587  0.293  1.0
  N  N20  1  0.046  0.106  0.046  1.0
  N  N21  1  0.454  0.106  0.546  1.0
  N  N22  1  0.546  0.894  0.454  1.0
  N  N23  1  0.954  0.894  0.954  1.0
[/CIF]
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