The material structure described by LiAlTiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ti(1), and one Al(1) atom to form distorted OLiTi2Al trigonal pyramids that share corners with six equivalent O(1)LiTi2Al trigonal pyramids, corners with six equivalent O(2)LiTiAl2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Al trigonal pyramid, and edges with two equivalent O(2)LiTiAl2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Al(1) atoms to form distorted OLiTiAl2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Al trigonal pyramids, corners with six equivalent O(2)LiTiAl2 trigonal pyramids,  an edgeedge with one O(2)LiTiAl2 trigonal pyramid, and edges with two equivalent O(1)LiTi2Al trigonal pyramids. is represented by the CIF file [CIF]
data_LiTiAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   5.851
_cell_angle_alpha   120.937
_cell_angle_beta   119.107
_cell_angle_gamma   89.969
_symmetry_Int_Tables_number   1
_cell_volume   141.554
_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  0.121  0.871  0.250  1.0
  Li  Li1  1  0.879  0.129  0.750  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  Al  Al4  1  0.500  0.500  0.500  1.0
  Al  Al5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.737  0.258  0.021  1.0
  O  O7  1  0.737  0.716  0.479  1.0
  O  O8  1  0.729  0.262  0.467  1.0
  O  O9  1  0.295  0.262  0.033  1.0
  O  O10  1  0.263  0.742  0.979  1.0
  O  O11  1  0.263  0.284  0.521  1.0
  O  O12  1  0.271  0.738  0.533  1.0
  O  O13  1  0.705  0.738  0.967  1.0
[/CIF]
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The material structure described by LiAlTiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ti(1), and one Al(1) atom to form distorted OLiTi2Al trigonal pyramids that share corners with six equivalent O(1)LiTi2Al trigonal pyramids, corners with six equivalent O(2)LiTiAl2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Al trigonal pyramid, and edges with two equivalent O(2)LiTiAl2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Al(1) atoms to form distorted OLiTiAl2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Al trigonal pyramids, corners with six equivalent O(2)LiTiAl2 trigonal pyramids,  an edgeedge with one O(2)LiTiAl2 trigonal pyramid, and edges with two equivalent O(1)LiTi2Al trigonal pyramids. is represented by the CIF file [CIF]
data_LiTiAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   5.851
_cell_angle_alpha   120.937
_cell_angle_beta   119.107
_cell_angle_gamma   89.969
_symmetry_Int_Tables_number   1
_cell_volume   141.554
_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  0.121  0.871  0.250  1.0
  Li  Li1  1  0.879  0.129  0.750  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  Al  Al4  1  0.500  0.500  0.500  1.0
  Al  Al5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.737  0.258  0.021  1.0
  O  O7  1  0.737  0.716  0.479  1.0
  O  O8  1  0.729  0.262  0.467  1.0
  O  O9  1  0.295  0.262  0.033  1.0
  O  O10  1  0.263  0.742  0.979  1.0
  O  O11  1  0.263  0.284  0.521  1.0
  O  O12  1  0.271  0.738  0.533  1.0
  O  O13  1  0.705  0.738  0.967  1.0
[/CIF]
.