The crystal structure described by LiCoAlO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with four equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Co(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO5 trigonal bipyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Co(1), and one Al(1) atom to form OLi2AlCo2 trigonal bipyramids that share corners with four equivalent O(3)Li2Al2Co trigonal bipyramids, corners with four equivalent O(2)LiAl2Co2 trigonal bipyramids, edges with two equivalent O(3)Li2Al2Co trigonal bipyramids, edges with two equivalent O(1)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(2)LiAl2Co2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Co(1), and two equivalent Al(1) atoms to form OLiAl2Co2 trigonal bipyramids that share corners with four equivalent O(3)Li2Al2Co trigonal bipyramids, corners with four equivalent O(1)Li2AlCo2 trigonal bipyramids, edges with two equivalent O(3)Li2Al2Co trigonal bipyramids, edges with two equivalent O(1)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(2)LiAl2Co2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and two equivalent Al(1) atoms to form OLi2Al2Co trigonal bipyramids that share corners with four equivalent O(1)Li2AlCo2 trigonal bipyramids, corners with four equivalent O(2)LiAl2Co2 trigonal bipyramids, edges with two equivalent O(3)Li2Al2Co trigonal bipyramids, edges with two equivalent O(1)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(2)LiAl2Co2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   5.363
_cell_length_c   5.430
_cell_angle_alpha   115.032
_cell_angle_beta   114.586
_cell_angle_gamma   65.450
_symmetry_Int_Tables_number   1
_cell_volume   120.141
_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
  Al  Al0  1  0.247  0.917  0.918  1.0
  Al  Al1  1  0.753  0.083  0.082  1.0
  Co  Co2  1  0.588  0.257  0.579  1.0
  Co  Co3  1  0.412  0.743  0.421  1.0
  Li  Li4  1  0.917  0.575  0.257  1.0
  Li  Li5  1  0.083  0.425  0.743  1.0
  O  O6  1  0.251  0.608  0.611  1.0
  O  O7  1  0.749  0.392  0.389  1.0
  O  O8  1  0.576  0.925  0.218  1.0
  O  O9  1  0.424  0.075  0.782  1.0
  O  O10  1  0.918  0.218  0.924  1.0
  O  O11  1  0.082  0.782  0.076  1.0
[/CIF]
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The crystal structure described by LiCoAlO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with four equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Co(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO5 trigonal bipyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Co(1), and one Al(1) atom to form OLi2AlCo2 trigonal bipyramids that share corners with four equivalent O(3)Li2Al2Co trigonal bipyramids, corners with four equivalent O(2)LiAl2Co2 trigonal bipyramids, edges with two equivalent O(3)Li2Al2Co trigonal bipyramids, edges with two equivalent O(1)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(2)LiAl2Co2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Co(1), and two equivalent Al(1) atoms to form OLiAl2Co2 trigonal bipyramids that share corners with four equivalent O(3)Li2Al2Co trigonal bipyramids, corners with four equivalent O(1)Li2AlCo2 trigonal bipyramids, edges with two equivalent O(3)Li2Al2Co trigonal bipyramids, edges with two equivalent O(1)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(2)LiAl2Co2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and two equivalent Al(1) atoms to form OLi2Al2Co trigonal bipyramids that share corners with four equivalent O(1)Li2AlCo2 trigonal bipyramids, corners with four equivalent O(2)LiAl2Co2 trigonal bipyramids, edges with two equivalent O(3)Li2Al2Co trigonal bipyramids, edges with two equivalent O(1)Li2AlCo2 trigonal bipyramids, and edges with two equivalent O(2)LiAl2Co2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   5.363
_cell_length_c   5.430
_cell_angle_alpha   115.032
_cell_angle_beta   114.586
_cell_angle_gamma   65.450
_symmetry_Int_Tables_number   1
_cell_volume   120.141
_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
  Al  Al0  1  0.247  0.917  0.918  1.0
  Al  Al1  1  0.753  0.083  0.082  1.0
  Co  Co2  1  0.588  0.257  0.579  1.0
  Co  Co3  1  0.412  0.743  0.421  1.0
  Li  Li4  1  0.917  0.575  0.257  1.0
  Li  Li5  1  0.083  0.425  0.743  1.0
  O  O6  1  0.251  0.608  0.611  1.0
  O  O7  1  0.749  0.392  0.389  1.0
  O  O8  1  0.576  0.925  0.218  1.0
  O  O9  1  0.424  0.075  0.782  1.0
  O  O10  1  0.918  0.218  0.924  1.0
  O  O11  1  0.082  0.782  0.076  1.0
[/CIF]
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