The material described by Li2CoAlO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Al(1)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with three equivalent Co(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form CoO5 trigonal bipyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, edges with two equivalent Al(1)O5 trigonal bipyramids, and edges with three equivalent Li(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Co(1), and one Al(1) atom to form OLi3AlCo trigonal bipyramids that share corners with two equivalent O(1)Li3AlCo trigonal bipyramids, corners with two equivalent O(3)Li3AlCo trigonal bipyramids, corners with four equivalent O(2)Li2Al2Co trigonal bipyramids,  an edgeedge with one O(2)Li2Al2Co trigonal bipyramid, edges with two equivalent O(3)Li3AlCo trigonal bipyramids, and edges with three equivalent O(4)Li2AlCo2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and two equivalent Al(1) atoms to form OLi2Al2Co trigonal bipyramids that share corners with two equivalent O(4)Li2AlCo2 trigonal bipyramids, corners with two equivalent O(3)Li3AlCo trigonal bipyramids, corners with four equivalent O(1)Li3AlCo trigonal bipyramids,  an edgeedge with one O(2)Li2Al2Co trigonal bipyramid,  an edgeedge with one O(1)Li3AlCo trigonal bipyramid, edges with two equivalent O(4)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(3)Li3AlCo trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Co(1), and one Al(1) atom to form OLi3AlCo trigonal bipyramids that share corners with two equivalent O(2)Li2Al2Co trigonal bipyramids, corners with two equivalent O(1)Li3AlCo trigonal bipyramids, corners with four equivalent O(4)Li2AlCo2 trigonal bipyramids,  an edgeedge with one O(4)Li2AlCo2 trigonal bipyramid,  an edgeedge with one O(3)Li3AlCo trigonal bipyramid, edges with two equivalent O(2)Li2Al2Co trigonal bipyramids, and edges with two equivalent O(1)Li3AlCo trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), two equivalent Co(1), and one Al(1) atom to form OLi2AlCo2 trigonal bipyramids that share corners with two equivalent O(2)Li2Al2Co trigonal bipyramids, corners with two equivalent O(4)Li2AlCo2 trigonal bipyramids, corners with four equivalent O(3)Li3AlCo trigonal bipyramids,  an edgeedge with one O(3)Li3AlCo trigonal bipyramid, edges with two equivalent O(2)Li2Al2Co trigonal bipyramids, and edges with three equivalent O(1)Li3AlCo trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2AlCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   5.314
_cell_length_c   10.766
_cell_angle_alpha   72.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.322
_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  0.335  0.926  0.194  1.0
  Li  Li1  1  0.165  0.926  0.694  1.0
  Li  Li2  1  0.158  0.702  0.432  1.0
  Li  Li3  1  0.342  0.702  0.932  1.0
  Li  Li4  1  0.658  0.298  0.068  1.0
  Li  Li5  1  0.842  0.298  0.568  1.0
  Li  Li6  1  0.835  0.074  0.306  1.0
  Li  Li7  1  0.665  0.074  0.806  1.0
  Al  Al8  1  0.834  0.821  0.061  1.0
  Al  Al9  1  0.666  0.821  0.561  1.0
  Al  Al10  1  0.334  0.179  0.439  1.0
  Al  Al11  1  0.166  0.179  0.939  1.0
  Co  Co12  1  0.175  0.426  0.181  1.0
  Co  Co13  1  0.675  0.574  0.319  1.0
  Co  Co14  1  0.325  0.426  0.681  1.0
  Co  Co15  1  0.825  0.574  0.819  1.0
  O  O16  1  0.670  0.919  0.180  1.0
  O  O17  1  0.830  0.919  0.680  1.0
  O  O18  1  0.144  0.826  0.059  1.0
  O  O19  1  0.356  0.826  0.559  1.0
  O  O20  1  0.813  0.690  0.442  1.0
  O  O21  1  0.345  0.531  0.316  1.0
  O  O22  1  0.687  0.690  0.942  1.0
  O  O23  1  0.155  0.531  0.816  1.0
  O  O24  1  0.845  0.469  0.184  1.0
  O  O25  1  0.313  0.310  0.058  1.0
  O  O26  1  0.655  0.469  0.684  1.0
  O  O27  1  0.187  0.310  0.558  1.0
  O  O28  1  0.644  0.174  0.441  1.0
  O  O29  1  0.856  0.174  0.941  1.0
  O  O30  1  0.170  0.081  0.320  1.0
  O  O31  1  0.330  0.081  0.820  1.0
[/CIF]
.
The material described by Li2CoAlO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Al(1)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with three equivalent Co(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form CoO5 trigonal bipyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, edges with two equivalent Al(1)O5 trigonal bipyramids, and edges with three equivalent Li(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Co(1), and one Al(1) atom to form OLi3AlCo trigonal bipyramids that share corners with two equivalent O(1)Li3AlCo trigonal bipyramids, corners with two equivalent O(3)Li3AlCo trigonal bipyramids, corners with four equivalent O(2)Li2Al2Co trigonal bipyramids,  an edgeedge with one O(2)Li2Al2Co trigonal bipyramid, edges with two equivalent O(3)Li3AlCo trigonal bipyramids, and edges with three equivalent O(4)Li2AlCo2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and two equivalent Al(1) atoms to form OLi2Al2Co trigonal bipyramids that share corners with two equivalent O(4)Li2AlCo2 trigonal bipyramids, corners with two equivalent O(3)Li3AlCo trigonal bipyramids, corners with four equivalent O(1)Li3AlCo trigonal bipyramids,  an edgeedge with one O(2)Li2Al2Co trigonal bipyramid,  an edgeedge with one O(1)Li3AlCo trigonal bipyramid, edges with two equivalent O(4)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(3)Li3AlCo trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Co(1), and one Al(1) atom to form OLi3AlCo trigonal bipyramids that share corners with two equivalent O(2)Li2Al2Co trigonal bipyramids, corners with two equivalent O(1)Li3AlCo trigonal bipyramids, corners with four equivalent O(4)Li2AlCo2 trigonal bipyramids,  an edgeedge with one O(4)Li2AlCo2 trigonal bipyramid,  an edgeedge with one O(3)Li3AlCo trigonal bipyramid, edges with two equivalent O(2)Li2Al2Co trigonal bipyramids, and edges with two equivalent O(1)Li3AlCo trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), two equivalent Co(1), and one Al(1) atom to form OLi2AlCo2 trigonal bipyramids that share corners with two equivalent O(2)Li2Al2Co trigonal bipyramids, corners with two equivalent O(4)Li2AlCo2 trigonal bipyramids, corners with four equivalent O(3)Li3AlCo trigonal bipyramids,  an edgeedge with one O(3)Li3AlCo trigonal bipyramid, edges with two equivalent O(2)Li2Al2Co trigonal bipyramids, and edges with three equivalent O(1)Li3AlCo trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2AlCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   5.314
_cell_length_c   10.766
_cell_angle_alpha   72.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.322
_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  0.335  0.926  0.194  1.0
  Li  Li1  1  0.165  0.926  0.694  1.0
  Li  Li2  1  0.158  0.702  0.432  1.0
  Li  Li3  1  0.342  0.702  0.932  1.0
  Li  Li4  1  0.658  0.298  0.068  1.0
  Li  Li5  1  0.842  0.298  0.568  1.0
  Li  Li6  1  0.835  0.074  0.306  1.0
  Li  Li7  1  0.665  0.074  0.806  1.0
  Al  Al8  1  0.834  0.821  0.061  1.0
  Al  Al9  1  0.666  0.821  0.561  1.0
  Al  Al10  1  0.334  0.179  0.439  1.0
  Al  Al11  1  0.166  0.179  0.939  1.0
  Co  Co12  1  0.175  0.426  0.181  1.0
  Co  Co13  1  0.675  0.574  0.319  1.0
  Co  Co14  1  0.325  0.426  0.681  1.0
  Co  Co15  1  0.825  0.574  0.819  1.0
  O  O16  1  0.670  0.919  0.180  1.0
  O  O17  1  0.830  0.919  0.680  1.0
  O  O18  1  0.144  0.826  0.059  1.0
  O  O19  1  0.356  0.826  0.559  1.0
  O  O20  1  0.813  0.690  0.442  1.0
  O  O21  1  0.345  0.531  0.316  1.0
  O  O22  1  0.687  0.690  0.942  1.0
  O  O23  1  0.155  0.531  0.816  1.0
  O  O24  1  0.845  0.469  0.184  1.0
  O  O25  1  0.313  0.310  0.058  1.0
  O  O26  1  0.655  0.469  0.684  1.0
  O  O27  1  0.187  0.310  0.558  1.0
  O  O28  1  0.644  0.174  0.441  1.0
  O  O29  1  0.856  0.174  0.941  1.0
  O  O30  1  0.170  0.081  0.320  1.0
  O  O31  1  0.330  0.081  0.820  1.0
[/CIF]
.