The material described by LiAlB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Al(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Al(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Al(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.165
_cell_length_b   7.165
_cell_length_c   9.469
_cell_angle_alpha   69.247
_cell_angle_beta   69.247
_cell_angle_gamma   90.709
_symmetry_Int_Tables_number   1
_cell_volume   419.716
_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
  Li  Li0  1  0.377  0.623  0.750  1.0
  Li  Li1  1  0.623  0.377  0.250  1.0
  Li  Li2  1  0.160  0.840  0.250  1.0
  Li  Li3  1  0.840  0.160  0.750  1.0
  Al  Al4  1  0.044  0.346  0.348  1.0
  Al  Al5  1  0.956  0.654  0.652  1.0
  Al  Al6  1  0.654  0.956  0.152  1.0
  Al  Al7  1  0.346  0.044  0.848  1.0
  B  B8  1  0.238  0.228  0.092  1.0
  B  B9  1  0.772  0.762  0.408  1.0
  B  B10  1  0.740  0.396  0.971  1.0
  B  B11  1  0.604  0.260  0.529  1.0
  B  B12  1  0.396  0.740  0.471  1.0
  B  B13  1  0.260  0.604  0.029  1.0
  B  B14  1  0.762  0.772  0.908  1.0
  B  B15  1  0.228  0.238  0.592  1.0
  O  O16  1  0.332  0.781  0.894  1.0
  O  O17  1  0.917  0.707  0.471  1.0
  O  O18  1  0.293  0.083  0.029  1.0
  O  O19  1  0.714  0.566  0.018  1.0
  O  O20  1  0.828  0.415  0.813  1.0
  O  O21  1  0.415  0.828  0.313  1.0
  O  O22  1  0.172  0.585  0.187  1.0
  O  O23  1  0.707  0.917  0.971  1.0
  O  O24  1  0.140  0.175  0.255  1.0
  O  O25  1  0.585  0.172  0.687  1.0
  O  O26  1  0.781  0.332  0.394  1.0
  O  O27  1  0.825  0.860  0.245  1.0
  O  O28  1  0.175  0.140  0.755  1.0
  O  O29  1  0.434  0.286  0.482  1.0
  O  O30  1  0.083  0.293  0.529  1.0
  O  O31  1  0.219  0.668  0.606  1.0
  O  O32  1  0.566  0.714  0.518  1.0
  O  O33  1  0.860  0.825  0.745  1.0
  O  O34  1  0.286  0.434  0.982  1.0
  O  O35  1  0.668  0.219  0.106  1.0
[/CIF]
.
The material described by LiAlB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Al(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Al(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Al(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.165
_cell_length_b   7.165
_cell_length_c   9.469
_cell_angle_alpha   69.247
_cell_angle_beta   69.247
_cell_angle_gamma   90.709
_symmetry_Int_Tables_number   1
_cell_volume   419.716
_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
  Li  Li0  1  0.377  0.623  0.750  1.0
  Li  Li1  1  0.623  0.377  0.250  1.0
  Li  Li2  1  0.160  0.840  0.250  1.0
  Li  Li3  1  0.840  0.160  0.750  1.0
  Al  Al4  1  0.044  0.346  0.348  1.0
  Al  Al5  1  0.956  0.654  0.652  1.0
  Al  Al6  1  0.654  0.956  0.152  1.0
  Al  Al7  1  0.346  0.044  0.848  1.0
  B  B8  1  0.238  0.228  0.092  1.0
  B  B9  1  0.772  0.762  0.408  1.0
  B  B10  1  0.740  0.396  0.971  1.0
  B  B11  1  0.604  0.260  0.529  1.0
  B  B12  1  0.396  0.740  0.471  1.0
  B  B13  1  0.260  0.604  0.029  1.0
  B  B14  1  0.762  0.772  0.908  1.0
  B  B15  1  0.228  0.238  0.592  1.0
  O  O16  1  0.332  0.781  0.894  1.0
  O  O17  1  0.917  0.707  0.471  1.0
  O  O18  1  0.293  0.083  0.029  1.0
  O  O19  1  0.714  0.566  0.018  1.0
  O  O20  1  0.828  0.415  0.813  1.0
  O  O21  1  0.415  0.828  0.313  1.0
  O  O22  1  0.172  0.585  0.187  1.0
  O  O23  1  0.707  0.917  0.971  1.0
  O  O24  1  0.140  0.175  0.255  1.0
  O  O25  1  0.585  0.172  0.687  1.0
  O  O26  1  0.781  0.332  0.394  1.0
  O  O27  1  0.825  0.860  0.245  1.0
  O  O28  1  0.175  0.140  0.755  1.0
  O  O29  1  0.434  0.286  0.482  1.0
  O  O30  1  0.083  0.293  0.529  1.0
  O  O31  1  0.219  0.668  0.606  1.0
  O  O32  1  0.566  0.714  0.518  1.0
  O  O33  1  0.860  0.825  0.745  1.0
  O  O34  1  0.286  0.434  0.982  1.0
  O  O35  1  0.668  0.219  0.106  1.0
[/CIF]
.