The compound described by Li6CrAlO6 is Ilmenite-derived structured and crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-59°. Cr(1) is bonded to six equivalent O(1) atoms to form distorted CrO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent Al(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded to four equivalent Li(1), one Cr(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing OLi4AlCr pentagonal pyramids. is represented by the CIF file [CIF]
data_Li6AlCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.385
_cell_length_b   5.385
_cell_length_c   9.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   244.410
_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  0.937  0.621  0.423  1.0
  Li  Li1  1  0.063  0.684  0.923  1.0
  Li  Li2  1  0.621  0.937  0.923  1.0
  Li  Li3  1  0.937  0.316  0.077  1.0
  Li  Li4  1  0.684  0.063  0.423  1.0
  Li  Li5  1  0.063  0.379  0.577  1.0
  Li  Li6  1  0.621  0.684  0.577  1.0
  Li  Li7  1  0.379  0.316  0.423  1.0
  Li  Li8  1  0.316  0.379  0.923  1.0
  Li  Li9  1  0.684  0.621  0.077  1.0
  Li  Li10  1  0.379  0.063  0.077  1.0
  Li  Li11  1  0.316  0.937  0.577  1.0
  Al  Al12  1  0.667  0.333  0.750  1.0
  Al  Al13  1  0.333  0.667  0.250  1.0
  Cr  Cr14  1  0.000  0.000  0.250  1.0
  Cr  Cr15  1  0.000  0.000  0.750  1.0
  O  O16  1  0.053  0.705  0.135  1.0
  O  O17  1  0.947  0.652  0.635  1.0
  O  O18  1  0.652  0.947  0.135  1.0
  O  O19  1  0.053  0.348  0.365  1.0
  O  O20  1  0.947  0.295  0.865  1.0
  O  O21  1  0.705  0.053  0.635  1.0
  O  O22  1  0.348  0.295  0.635  1.0
  O  O23  1  0.705  0.652  0.865  1.0
  O  O24  1  0.295  0.348  0.135  1.0
  O  O25  1  0.652  0.705  0.365  1.0
  O  O26  1  0.295  0.947  0.365  1.0
  O  O27  1  0.348  0.053  0.865  1.0
[/CIF]
.
The compound described by Li6CrAlO6 is Ilmenite-derived structured and crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-59°. Cr(1) is bonded to six equivalent O(1) atoms to form distorted CrO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent Al(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded to four equivalent Li(1), one Cr(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing OLi4AlCr pentagonal pyramids. is represented by the CIF file [CIF]
data_Li6AlCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.385
_cell_length_b   5.385
_cell_length_c   9.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   244.410
_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  0.937  0.621  0.423  1.0
  Li  Li1  1  0.063  0.684  0.923  1.0
  Li  Li2  1  0.621  0.937  0.923  1.0
  Li  Li3  1  0.937  0.316  0.077  1.0
  Li  Li4  1  0.684  0.063  0.423  1.0
  Li  Li5  1  0.063  0.379  0.577  1.0
  Li  Li6  1  0.621  0.684  0.577  1.0
  Li  Li7  1  0.379  0.316  0.423  1.0
  Li  Li8  1  0.316  0.379  0.923  1.0
  Li  Li9  1  0.684  0.621  0.077  1.0
  Li  Li10  1  0.379  0.063  0.077  1.0
  Li  Li11  1  0.316  0.937  0.577  1.0
  Al  Al12  1  0.667  0.333  0.750  1.0
  Al  Al13  1  0.333  0.667  0.250  1.0
  Cr  Cr14  1  0.000  0.000  0.250  1.0
  Cr  Cr15  1  0.000  0.000  0.750  1.0
  O  O16  1  0.053  0.705  0.135  1.0
  O  O17  1  0.947  0.652  0.635  1.0
  O  O18  1  0.652  0.947  0.135  1.0
  O  O19  1  0.053  0.348  0.365  1.0
  O  O20  1  0.947  0.295  0.865  1.0
  O  O21  1  0.705  0.053  0.635  1.0
  O  O22  1  0.348  0.295  0.635  1.0
  O  O23  1  0.705  0.652  0.865  1.0
  O  O24  1  0.295  0.348  0.135  1.0
  O  O25  1  0.652  0.705  0.365  1.0
  O  O26  1  0.295  0.947  0.365  1.0
  O  O27  1  0.348  0.053  0.865  1.0
[/CIF]
.