The crystal structure described by Co2AlO4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Al(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one Al(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Co(1), one Co(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   5.156
_cell_angle_alpha   65.306
_cell_angle_beta   65.306
_cell_angle_gamma   107.324
_symmetry_Int_Tables_number   1
_cell_volume   131.626
_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  0.122  0.878  0.250  1.0
  Al  Al1  1  0.878  0.122  0.750  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.899  0.721  0.744  1.0
  O  O7  1  0.279  0.101  0.756  1.0
  O  O8  1  0.101  0.279  0.256  1.0
  O  O9  1  0.721  0.899  0.244  1.0
  O  O10  1  0.143  0.463  0.638  1.0
  O  O11  1  0.537  0.857  0.862  1.0
  O  O12  1  0.463  0.143  0.138  1.0
  O  O13  1  0.857  0.537  0.362  1.0
[/CIF]
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The crystal structure described by Co2AlO4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Al(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one Al(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Co(1), one Co(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   5.156
_cell_angle_alpha   65.306
_cell_angle_beta   65.306
_cell_angle_gamma   107.324
_symmetry_Int_Tables_number   1
_cell_volume   131.626
_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  0.122  0.878  0.250  1.0
  Al  Al1  1  0.878  0.122  0.750  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.899  0.721  0.744  1.0
  O  O7  1  0.279  0.101  0.756  1.0
  O  O8  1  0.101  0.279  0.256  1.0
  O  O9  1  0.721  0.899  0.244  1.0
  O  O10  1  0.143  0.463  0.638  1.0
  O  O11  1  0.537  0.857  0.862  1.0
  O  O12  1  0.463  0.143  0.138  1.0
  O  O13  1  0.857  0.537  0.362  1.0
[/CIF]
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