The material described by Li2CoAlO4 is Theoretical Carbon Structure-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CoO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi2AlCo tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and one Al(1) atom to form corner-sharing OLi2AlCo tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlCo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AlCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   6.200
_cell_length_c   11.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   354.886
_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  0.195  0.990  0.169  1.0
  Li  Li1  1  0.305  0.990  0.669  1.0
  Li  Li2  1  0.195  0.510  0.169  1.0
  Li  Li3  1  0.305  0.510  0.669  1.0
  Li  Li4  1  0.695  0.490  0.331  1.0
  Li  Li5  1  0.805  0.490  0.831  1.0
  Li  Li6  1  0.805  0.010  0.831  1.0
  Li  Li7  1  0.695  0.010  0.331  1.0
  Al  Al8  1  0.182  0.250  0.421  1.0
  Al  Al9  1  0.318  0.250  0.921  1.0
  Al  Al10  1  0.682  0.750  0.079  1.0
  Al  Al11  1  0.818  0.750  0.579  1.0
  Co  Co12  1  0.821  0.250  0.081  1.0
  Co  Co13  1  0.679  0.250  0.581  1.0
  Co  Co14  1  0.321  0.750  0.419  1.0
  Co  Co15  1  0.179  0.750  0.919  1.0
  O  O16  1  0.284  0.015  0.341  1.0
  O  O17  1  0.216  0.015  0.841  1.0
  O  O18  1  0.839  0.250  0.428  1.0
  O  O19  1  0.186  0.250  0.069  1.0
  O  O20  1  0.314  0.250  0.569  1.0
  O  O21  1  0.661  0.250  0.928  1.0
  O  O22  1  0.284  0.485  0.341  1.0
  O  O23  1  0.216  0.485  0.841  1.0
  O  O24  1  0.716  0.515  0.659  1.0
  O  O25  1  0.784  0.515  0.159  1.0
  O  O26  1  0.686  0.750  0.431  1.0
  O  O27  1  0.339  0.750  0.072  1.0
  O  O28  1  0.814  0.750  0.931  1.0
  O  O29  1  0.161  0.750  0.572  1.0
  O  O30  1  0.784  0.985  0.159  1.0
  O  O31  1  0.716  0.985  0.659  1.0
[/CIF]
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The material described by Li2CoAlO4 is Theoretical Carbon Structure-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CoO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi2AlCo tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and one Al(1) atom to form corner-sharing OLi2AlCo tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlCo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AlCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   6.200
_cell_length_c   11.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   354.886
_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  0.195  0.990  0.169  1.0
  Li  Li1  1  0.305  0.990  0.669  1.0
  Li  Li2  1  0.195  0.510  0.169  1.0
  Li  Li3  1  0.305  0.510  0.669  1.0
  Li  Li4  1  0.695  0.490  0.331  1.0
  Li  Li5  1  0.805  0.490  0.831  1.0
  Li  Li6  1  0.805  0.010  0.831  1.0
  Li  Li7  1  0.695  0.010  0.331  1.0
  Al  Al8  1  0.182  0.250  0.421  1.0
  Al  Al9  1  0.318  0.250  0.921  1.0
  Al  Al10  1  0.682  0.750  0.079  1.0
  Al  Al11  1  0.818  0.750  0.579  1.0
  Co  Co12  1  0.821  0.250  0.081  1.0
  Co  Co13  1  0.679  0.250  0.581  1.0
  Co  Co14  1  0.321  0.750  0.419  1.0
  Co  Co15  1  0.179  0.750  0.919  1.0
  O  O16  1  0.284  0.015  0.341  1.0
  O  O17  1  0.216  0.015  0.841  1.0
  O  O18  1  0.839  0.250  0.428  1.0
  O  O19  1  0.186  0.250  0.069  1.0
  O  O20  1  0.314  0.250  0.569  1.0
  O  O21  1  0.661  0.250  0.928  1.0
  O  O22  1  0.284  0.485  0.341  1.0
  O  O23  1  0.216  0.485  0.841  1.0
  O  O24  1  0.716  0.515  0.659  1.0
  O  O25  1  0.784  0.515  0.159  1.0
  O  O26  1  0.686  0.750  0.431  1.0
  O  O27  1  0.339  0.750  0.072  1.0
  O  O28  1  0.814  0.750  0.931  1.0
  O  O29  1  0.161  0.750  0.572  1.0
  O  O30  1  0.784  0.985  0.159  1.0
  O  O31  1  0.716  0.985  0.659  1.0
[/CIF]
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