The material described by CoAlO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with nine equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. O(1) is bonded to two equivalent Co(1) and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OAl2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.176
_cell_length_c   5.176
_cell_angle_alpha   55.599
_cell_angle_beta   55.599
_cell_angle_gamma   55.599
_symmetry_Int_Tables_number   1
_cell_volume   88.021
_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  0.853  0.853  0.853  1.0
  Al  Al1  1  0.147  0.147  0.147  1.0
  Co  Co2  1  0.345  0.345  0.345  1.0
  Co  Co3  1  0.655  0.655  0.655  1.0
  O  O4  1  0.446  0.752  0.055  1.0
  O  O5  1  0.248  0.945  0.554  1.0
  O  O6  1  0.055  0.446  0.752  1.0
  O  O7  1  0.945  0.554  0.248  1.0
  O  O8  1  0.752  0.055  0.446  1.0
  O  O9  1  0.554  0.248  0.945  1.0
[/CIF]
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The material described by CoAlO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with nine equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. O(1) is bonded to two equivalent Co(1) and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OAl2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.176
_cell_length_c   5.176
_cell_angle_alpha   55.599
_cell_angle_beta   55.599
_cell_angle_gamma   55.599
_symmetry_Int_Tables_number   1
_cell_volume   88.021
_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  0.853  0.853  0.853  1.0
  Al  Al1  1  0.147  0.147  0.147  1.0
  Co  Co2  1  0.345  0.345  0.345  1.0
  Co  Co3  1  0.655  0.655  0.655  1.0
  O  O4  1  0.446  0.752  0.055  1.0
  O  O5  1  0.248  0.945  0.554  1.0
  O  O6  1  0.055  0.446  0.752  1.0
  O  O7  1  0.945  0.554  0.248  1.0
  O  O8  1  0.752  0.055  0.446  1.0
  O  O9  1  0.554  0.248  0.945  1.0
[/CIF]
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