The material structure described by Li2CoAlO4 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Al(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. 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)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), two equivalent Co(1), and one Al(1) atom to form OLi3AlCo2 octahedra that share corners with three equivalent O(2)Li3Al2Co octahedra, corners with three equivalent O(1)Li3AlCo2 octahedra, edges with five equivalent O(1)Li3AlCo2 octahedra, and edges with seven equivalent O(2)Li3Al2Co octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to three equivalent Li(1), one Co(1), and two equivalent Al(1) atoms to form OLi3Al2Co octahedra that share corners with three equivalent O(2)Li3Al2Co octahedra, corners with three equivalent O(1)Li3AlCo2 octahedra, edges with five equivalent O(2)Li3Al2Co octahedra, and edges with seven equivalent O(1)Li3AlCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li2AlCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.090
_cell_length_c   5.015
_cell_angle_alpha   80.763
_cell_angle_beta   80.763
_cell_angle_gamma   32.798
_symmetry_Int_Tables_number   1
_cell_volume   69.390
_cell_formula_units_Z   1
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  0.747  0.747  0.250  1.0
  Li  Li1  1  0.253  0.253  0.750  1.0
  Al  Al2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.612  0.612  0.639  1.0
  O  O5  1  0.110  0.110  0.117  1.0
  O  O6  1  0.388  0.388  0.361  1.0
  O  O7  1  0.890  0.890  0.883  1.0
[/CIF]
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The material structure described by Li2CoAlO4 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Al(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. 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)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), two equivalent Co(1), and one Al(1) atom to form OLi3AlCo2 octahedra that share corners with three equivalent O(2)Li3Al2Co octahedra, corners with three equivalent O(1)Li3AlCo2 octahedra, edges with five equivalent O(1)Li3AlCo2 octahedra, and edges with seven equivalent O(2)Li3Al2Co octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to three equivalent Li(1), one Co(1), and two equivalent Al(1) atoms to form OLi3Al2Co octahedra that share corners with three equivalent O(2)Li3Al2Co octahedra, corners with three equivalent O(1)Li3AlCo2 octahedra, edges with five equivalent O(2)Li3Al2Co octahedra, and edges with seven equivalent O(1)Li3AlCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li2AlCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.090
_cell_length_c   5.015
_cell_angle_alpha   80.763
_cell_angle_beta   80.763
_cell_angle_gamma   32.798
_symmetry_Int_Tables_number   1
_cell_volume   69.390
_cell_formula_units_Z   1
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  0.747  0.747  0.250  1.0
  Li  Li1  1  0.253  0.253  0.750  1.0
  Al  Al2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.612  0.612  0.639  1.0
  O  O5  1  0.110  0.110  0.117  1.0
  O  O6  1  0.388  0.388  0.361  1.0
  O  O7  1  0.890  0.890  0.883  1.0
[/CIF]
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