The material structure described by Li5AlO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Al(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 trigonal pyramids, and edges with four equivalent Li(1)O4 trigonal pyramids. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra, corners with eight equivalent Li(1)O4 trigonal pyramids, and edges with four equivalent Li(1)O4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), four equivalent Li(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi5Al octahedra. The corner-sharing octahedral tilt angles range from 61-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), four equivalent Li(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Li5AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.574
_cell_length_b   6.247
_cell_length_c   6.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.736
_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  0.746  0.489  0.448  1.0
  Li  Li1  1  0.746  0.011  0.052  1.0
  Li  Li2  1  0.254  0.989  0.552  1.0
  Li  Li3  1  0.254  0.511  0.948  1.0
  Li  Li4  1  0.254  0.511  0.552  1.0
  Li  Li5  1  0.254  0.989  0.948  1.0
  Li  Li6  1  0.746  0.011  0.448  1.0
  Li  Li7  1  0.746  0.489  0.052  1.0
  Li  Li8  1  0.795  0.250  0.750  1.0
  Li  Li9  1  0.205  0.750  0.250  1.0
  Al  Al10  1  0.225  0.250  0.250  1.0
  Al  Al11  1  0.775  0.750  0.750  1.0
  O  O12  1  0.015  0.250  0.483  1.0
  O  O13  1  0.015  0.250  0.017  1.0
  O  O14  1  0.569  0.987  0.750  1.0
  O  O15  1  0.569  0.513  0.750  1.0
  O  O16  1  0.431  0.487  0.250  1.0
  O  O17  1  0.431  0.013  0.250  1.0
  O  O18  1  0.985  0.750  0.983  1.0
  O  O19  1  0.985  0.750  0.517  1.0
[/CIF]
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The material structure described by Li5AlO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Al(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 trigonal pyramids, and edges with four equivalent Li(1)O4 trigonal pyramids. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra, corners with eight equivalent Li(1)O4 trigonal pyramids, and edges with four equivalent Li(1)O4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), four equivalent Li(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi5Al octahedra. The corner-sharing octahedral tilt angles range from 61-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), four equivalent Li(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Li5AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.574
_cell_length_b   6.247
_cell_length_c   6.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.736
_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  0.746  0.489  0.448  1.0
  Li  Li1  1  0.746  0.011  0.052  1.0
  Li  Li2  1  0.254  0.989  0.552  1.0
  Li  Li3  1  0.254  0.511  0.948  1.0
  Li  Li4  1  0.254  0.511  0.552  1.0
  Li  Li5  1  0.254  0.989  0.948  1.0
  Li  Li6  1  0.746  0.011  0.448  1.0
  Li  Li7  1  0.746  0.489  0.052  1.0
  Li  Li8  1  0.795  0.250  0.750  1.0
  Li  Li9  1  0.205  0.750  0.250  1.0
  Al  Al10  1  0.225  0.250  0.250  1.0
  Al  Al11  1  0.775  0.750  0.750  1.0
  O  O12  1  0.015  0.250  0.483  1.0
  O  O13  1  0.015  0.250  0.017  1.0
  O  O14  1  0.569  0.987  0.750  1.0
  O  O15  1  0.569  0.513  0.750  1.0
  O  O16  1  0.431  0.487  0.250  1.0
  O  O17  1  0.431  0.013  0.250  1.0
  O  O18  1  0.985  0.750  0.983  1.0
  O  O19  1  0.985  0.750  0.517  1.0
[/CIF]
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