The structure described by LiAl2O6Br crystallizes in the hexagonal P6_3/mcm space group. Li(1) is bonded in a body-centered cubic geometry to six equivalent O(1) and two equivalent Br(1) atoms. Al(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(1), and one O(1) atom. Br(1) is bonded in a linear geometry to two equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_LiAl2BrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.653
_cell_length_b   5.653
_cell_length_c   10.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   288.577
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.667  0.333  0.000  1.0
  Al  Al3  1  0.333  0.667  0.000  1.0
  Al  Al4  1  0.333  0.667  0.500  1.0
  Al  Al5  1  0.667  0.333  0.500  1.0
  Br  Br6  1  0.000  0.000  0.750  1.0
  Br  Br7  1  0.000  0.000  0.250  1.0
  O  O8  1  0.416  0.000  0.431  1.0
  O  O9  1  0.000  0.416  0.431  1.0
  O  O10  1  0.584  0.584  0.431  1.0
  O  O11  1  0.584  0.000  0.569  1.0
  O  O12  1  0.000  0.584  0.569  1.0
  O  O13  1  0.416  0.416  0.569  1.0
  O  O14  1  0.584  0.000  0.931  1.0
  O  O15  1  0.000  0.584  0.931  1.0
  O  O16  1  0.416  0.416  0.931  1.0
  O  O17  1  0.416  0.000  0.069  1.0
  O  O18  1  0.000  0.416  0.069  1.0
  O  O19  1  0.584  0.584  0.069  1.0
[/CIF]
.
The structure described by LiAl2O6Br crystallizes in the hexagonal P6_3/mcm space group. Li(1) is bonded in a body-centered cubic geometry to six equivalent O(1) and two equivalent Br(1) atoms. Al(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(1), and one O(1) atom. Br(1) is bonded in a linear geometry to two equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_LiAl2BrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.653
_cell_length_b   5.653
_cell_length_c   10.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   288.577
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.667  0.333  0.000  1.0
  Al  Al3  1  0.333  0.667  0.000  1.0
  Al  Al4  1  0.333  0.667  0.500  1.0
  Al  Al5  1  0.667  0.333  0.500  1.0
  Br  Br6  1  0.000  0.000  0.750  1.0
  Br  Br7  1  0.000  0.000  0.250  1.0
  O  O8  1  0.416  0.000  0.431  1.0
  O  O9  1  0.000  0.416  0.431  1.0
  O  O10  1  0.584  0.584  0.431  1.0
  O  O11  1  0.584  0.000  0.569  1.0
  O  O12  1  0.000  0.584  0.569  1.0
  O  O13  1  0.416  0.416  0.569  1.0
  O  O14  1  0.584  0.000  0.931  1.0
  O  O15  1  0.000  0.584  0.931  1.0
  O  O16  1  0.416  0.416  0.931  1.0
  O  O17  1  0.416  0.000  0.069  1.0
  O  O18  1  0.000  0.416  0.069  1.0
  O  O19  1  0.584  0.584  0.069  1.0
[/CIF]
.